data_2jp9_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 2jp9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.6 158.69 43.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.197 0.522 . . . . 0.0 112.12 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 40.7 t -119.3 165.29 14.46 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.051 168.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.28 -3.87 7.4 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 56.3 t80 -75.07 143.86 78.13 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 120.601 0.239 . . . . 0.0 110.763 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.37 149.31 23.38 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.764 2.31 . . . . 0.0 112.875 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.54 9.43 18.11 Favored Glycine 0 CA--C 1.559 2.808 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.747 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 49.0 t -88.41 171.03 10.42 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 117.466 0.633 . . . . 0.0 110.56 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 40.8 t30 -68.24 -34.85 76.98 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.378 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 66.41 14.53 9.75 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 122.999 0.52 . . . . 0.0 111.469 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -148.71 127.13 12.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.265 171.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.4 ' CE1' ' CD2' ' A' ' 27' ' ' HIS . 71.1 m-85 -126.89 164.55 21.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.695 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.09 -14.06 9.94 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.787 -171.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 18.8 mmtm -127.62 129.14 46.73 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.832 0.349 . . . . 0.0 110.45 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.05 -57.16 11.34 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -67.87 -35.66 78.92 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.77 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.23 -40.95 98.9 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.087 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -37.87 77.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.98 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.999 -0.438 . . . . 0.0 110.353 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.0 tpt -60.08 -41.23 92.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.1 t60 -57.86 -43.24 85.82 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.272 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -59.31 -38.06 79.3 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.037 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -38.12 73.51 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.56 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.17 -38.43 70.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.215 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 21.7 m-70 -80.92 -23.39 38.94 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 -172.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 175.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.626 0.251 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.65 154.92 49.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.605 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 CA--C 1.542 0.67 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 179.091 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.24 155.74 38.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.126 0.489 . . . . 0.0 110.959 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.7 m-85 -138.62 164.83 28.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.074 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 p -105.26 4.63 31.27 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 52' ' ' ASP . 22.5 ttp180 -164.18 158.08 18.69 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.798 0.332 . . . . 0.0 111.059 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -39.46 83.0 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 175.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' H ' ' HG2' ' A' ' 50' ' ' ARG . 28.1 t0 -65.53 -40.57 93.08 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.88 73.05 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.727 0.299 . . . . 0.0 110.603 175.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.99 -46.45 90.68 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -58.84 -46.25 88.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.735 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.44 -46.05 84.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.619 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.69 -40.94 94.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.767 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -54.0 -38.43 65.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.092 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -55.72 -33.33 64.13 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 122.376 -0.203 . . . . 0.0 111.125 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.445 HH11 ' HG3' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -68.15 -31.87 71.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.015 0.126 . . . . 0.0 111.193 179.052 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -85.3 -33.62 22.06 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.1 p -94.38 -12.85 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.579 -171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.43 13.08 73.81 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 121.575 -0.345 . . . . 0.0 112.471 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 t -67.41 105.95 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.026 0.441 . . . . 0.0 110.957 -176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.67 82.49 41.32 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.177 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -85.27 -18.88 3.92 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.636 2.224 . . . . 0.0 112.983 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.89 84.6 6.35 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.628 0.251 . . . . 0.0 110.762 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -90.37 130.22 36.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.037 0.446 . . . . 0.0 110.991 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.444 ' SG ' ' HE3' ' A' ' 70' ' ' LYS . 19.4 t -64.62 124.47 21.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.867 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -57.83 -24.92 59.68 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.719 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -62.79 1.19 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.609 0.243 . . . . 0.0 110.816 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.26 -19.0 61.16 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.678 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 62.61 8.92 3.19 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.572 0.349 . . . . 0.0 111.002 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -69.25 122.43 18.82 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.494 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.86 124.5 33.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.916 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.07 162.48 16.42 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.411 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 p -101.58 -6.49 23.79 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.637 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -136.89 143.17 42.84 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 111.196 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.6 p -65.09 -39.59 93.4 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.926 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.57 -34.86 79.25 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.226 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.1 -45.82 72.64 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.538 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.25 -45.23 89.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.19 -34.27 77.97 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -67.62 -49.66 61.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.97 -33.99 75.33 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 m -54.28 -40.99 68.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.705 0.402 . . . . 0.0 110.974 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -61.98 -22.72 65.9 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 m -54.5 -40.83 68.93 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.858 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -86.67 -22.91 25.83 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.616 0.246 . . . . 0.0 110.95 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.81 -6.27 51.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.529 -169.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.61 15.08 38.71 Favored Glycine 0 CA--C 1.546 2.022 0 C-N-CA 121.471 -0.395 . . . . 0.0 112.528 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.38 96.36 7.32 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -121.58 83.69 41.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.17 -19.51 4.63 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.694 2.263 . . . . 0.0 113.058 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.16 75.99 8.12 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 84.7 p -78.86 145.97 33.89 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.2 t -70.28 161.22 30.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.124 0.488 . . . . 0.0 110.935 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -125.54 7.62 7.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.908 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -65.26 153.02 90.56 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.502 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.68 4.71 2.0 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 122.781 2.321 . . . . 0.0 113.33 -171.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -148.26 30.69 0.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.081 0.152 . . . . 0.0 111.152 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.81 150.27 34.97 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.56 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -145.25 23.39 1.49 Allowed 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.946 169.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.5 mtmm -68.38 144.15 54.86 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 36.3 mttm -123.83 144.56 49.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.139 0.495 . . . . 0.0 111.548 -169.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -123.83 164.58 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.39 2.03 44.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.009 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -135.67 136.34 40.84 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.104 0.478 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 p -57.21 -45.31 83.94 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.716 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.15 -33.58 75.72 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.465 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.69 -40.59 92.75 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.0 tp -66.29 -43.19 87.06 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.77 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.03 -41.59 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.16 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.53 -46.88 84.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.431 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.414 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 58.9 t60 -54.51 -49.84 69.24 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 110.772 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -56.65 -37.85 71.36 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.966 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -18.79 64.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.179 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.7 mtm -106.0 0.66 25.86 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.079 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.344 0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.078 -171.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 80.9 m-85 . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 120.441 0.162 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -136.25 152.78 51.09 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.977 0.417 . . . . 0.0 110.31 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.14 159.76 25.53 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.927 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.63 61.66 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -150.62 134.69 9.27 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.248 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.76 -32.58 93.12 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.454 2.103 . . . . 0.0 112.632 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 6.64 49.82 Favored Glycine 0 CA--C 1.55 2.228 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.783 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 t -151.63 -89.2 0.06 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.864 0.332 . . . . 0.0 110.792 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.98 28.3 16.02 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 120.922 0.392 . . . . 0.0 111.01 -176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -81.37 170.65 15.74 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 135.83 39.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.328 0.585 . . . . 0.0 111.698 -169.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -116.45 163.7 15.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.512 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.46 -8.53 13.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.629 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -132.18 149.51 52.37 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.1 tt -76.17 -48.47 20.38 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.609 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 p -68.16 -35.96 78.88 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.15 81.18 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -32.28 73.84 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.521 170.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.546 HE21 ' NH1' ' A' ' 29' ' ' ARG . 54.2 tt0 -64.82 -44.45 89.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.088 -0.382 . . . . 0.0 110.688 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -57.97 -46.27 85.41 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -58.0 -44.79 87.42 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 m -59.6 -35.44 74.33 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.168 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.546 ' NH1' HE21 ' A' ' 25' ' ' GLN . 39.2 mtt85 -61.94 -38.04 86.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -31.29 66.59 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 121.354 -0.138 . . . . 0.0 111.097 175.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -89.66 -26.81 20.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.999 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.678 0.275 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.7 149.81 52.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 t . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.886 0.374 . . . . 0.0 110.824 177.581 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.66 153.09 21.03 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 111.024 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 91.8 m-85 -135.6 164.8 27.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.02 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 p -110.52 20.44 17.7 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.453 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -168.56 157.15 8.52 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.66 0.267 . . . . 0.0 111.016 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.5 p -62.35 -35.19 78.35 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.411 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.1 -42.75 88.85 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.61 -47.11 79.8 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.634 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.16 -43.13 96.02 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.81 -47.07 88.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.344 0.258 . . . . 0.0 110.944 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -57.88 -47.4 82.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.692 0.282 . . . . 0.0 110.282 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.0 t60 -60.88 -37.28 81.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -177.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -53.39 -38.18 63.15 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -33.37 63.36 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.316 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -58.12 -35.35 71.35 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.238 0.215 . . . . 0.0 111.254 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.46 -37.15 12.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.618 0.247 . . . . 0.0 111.163 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.1 p -81.34 -19.28 43.15 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.337 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.74 63.85 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.489 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.31 113.05 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.881 -175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -121.52 81.3 39.28 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.306 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.67 -23.0 5.1 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.666 2.244 . . . . 0.0 112.747 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -78.92 76.28 5.41 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.653 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 pt20 -91.09 137.63 32.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.066 0.46 . . . . 0.0 111.044 -177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.489 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 t -64.59 129.43 39.8 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.468 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -66.1 -2.02 3.74 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.775 176.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -67.35 0.99 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.43 0.292 . . . . 0.0 110.762 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.65 3.88 23.3 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.33 15.99 9.12 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.961 0.505 . . . . 0.0 111.843 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 111.96 0.83 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 169.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 43.5 mttt -87.88 136.61 32.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.126 0.488 . . . . 0.0 111.063 -172.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -130.74 160.92 32.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.417 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 m -105.63 -0.22 25.83 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -133.35 135.34 44.69 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 110.707 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 p -65.76 -39.53 91.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.57 -34.83 79.16 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.3 -42.65 83.38 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.617 172.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.81 -46.73 77.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.56 0.219 . . . . 0.0 110.986 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.54 -34.38 77.68 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.63 0.253 . . . . 0.0 110.432 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.8 m -67.01 -49.62 64.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.67 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -63.07 -32.72 74.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.17 -40.99 68.01 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -62.11 -24.62 67.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.424 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -65.71 -28.91 69.41 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.912 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.76 -24.2 17.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.959 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -91.89 -6.14 52.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.542 -170.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.33 13.95 55.64 Favored Glycine 0 CA--C 1.545 1.907 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.38 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.34 91.34 5.04 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.851 0.358 . . . . 0.0 110.795 -174.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -117.41 78.95 11.37 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.38 -24.24 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.659 2.239 . . . . 0.0 112.871 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -77.56 77.37 4.08 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.0 m -81.61 145.16 30.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 11.7 t -70.36 159.7 33.66 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.088 0.471 . . . . 0.0 110.968 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.2 14.73 7.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.9 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -65.22 160.88 54.2 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.65 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.78 -32.27 28.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 123.113 2.542 . . . . 0.0 113.55 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.4 p -147.08 82.13 1.55 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.702 0.286 . . . . 0.0 110.566 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 42.5 t -148.88 155.38 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -145.21 22.92 1.52 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.424 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mppt? -78.32 138.2 38.45 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -128.44 143.4 50.98 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -172.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.9 162.41 27.6 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.4 -0.07 38.89 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.046 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -135.32 137.75 42.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 110.489 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.1 p -57.22 -44.8 84.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.697 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -67.41 -33.56 75.43 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.707 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -60.6 -39.56 88.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.22 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.65 -42.56 82.03 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.884 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 80.2 t -57.98 -41.64 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.06 -46.81 85.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -54.51 -49.5 70.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.537 0.208 . . . . 0.0 110.744 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -56.65 -39.58 73.95 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.836 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -16.62 63.8 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.178 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -109.56 2.83 20.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.993 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.067 -172.336 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 120.368 0.128 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 152.35 50.45 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 169.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -65.08 145.73 55.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.303 170.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.93 15.88 5.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.26 116.14 46.03 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.5 95.43 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.28 1.987 . . . . 0.0 111.446 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.41 -24.0 1.37 Allowed Glycine 0 CA--C 1.552 2.383 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -169.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.53 178.77 6.73 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.547 1.139 . . . . 0.0 109.437 169.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -173.06 31.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.699 0.285 . . . . 0.0 111.222 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -72.57 149.85 43.65 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.61 127.08 45.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.271 0.558 . . . . 0.0 110.953 -175.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -111.94 170.05 8.42 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.229 1.012 . . . . 0.0 110.465 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -117.52 -29.08 5.89 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.366 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 60.7 mmtt -106.74 134.03 50.51 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.706 0.289 . . . . 0.0 110.573 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.04 -51.44 67.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.601 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 p -67.96 -35.72 78.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.085 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -73.41 -29.44 62.59 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.213 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -40.04 64.73 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 169.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.85 -39.5 85.42 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.857 -0.156 . . . . 0.0 110.586 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.1 mmt -59.98 -45.95 91.04 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.522 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -58.0 -40.14 80.01 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 p -58.92 -34.09 71.32 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.235 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -55.59 -38.45 69.44 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.93 -28.16 65.97 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.328 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -89.63 -20.73 23.35 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.846 -179.047 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.602 0.239 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -132.8 154.64 50.09 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.382 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.55 0.959 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.56 172.697 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.713 0.292 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -117.79 152.35 35.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 63.7 m-85 -138.63 139.42 38.53 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.0 t -88.74 3.72 49.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -141.15 138.06 33.17 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 110.639 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 p -59.65 -44.63 93.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.239 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -33.91 77.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.69 -46.12 83.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.596 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.56 -46.77 88.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.763 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -57.93 -42.88 85.78 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.589 0.233 . . . . 0.0 110.776 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -61.85 -47.09 86.6 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.544 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 69.7 t60 -60.58 -47.59 85.53 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -53.32 -38.07 62.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -55.18 -33.09 62.71 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.019 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.89 -38.19 90.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.507 0.194 . . . . 0.0 111.142 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -81.29 -12.79 58.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.372 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 p -118.5 -7.9 10.56 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.68 -170.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.1 48.56 Favored Glycine 0 CA--C 1.552 2.345 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.405 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.44 125.42 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 117.145 0.473 . . . . 0.0 110.886 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.29 88.29 32.48 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.132 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.8 -13.84 6.64 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.58 2.187 . . . . 0.0 113.262 -170.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -90.42 133.85 34.74 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -124.52 138.96 54.29 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.146 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.54 148.61 50.37 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.446 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.57 -4.33 51.11 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 -71.13 0.76 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -175.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -88.38 -4.02 58.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.547 0.213 . . . . 0.0 111.117 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 61.22 26.1 16.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.323 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.48 140.81 35.73 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 120.818 0.342 . . . . 0.0 110.71 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -93.29 145.69 24.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.068 0.461 . . . . 0.0 111.316 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.97 163.46 31.46 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 p -96.38 -10.62 27.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.822 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -139.65 135.72 33.56 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 p -60.07 -34.12 73.0 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.11 -41.04 95.29 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.835 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -63.77 -44.7 92.64 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.387 0.137 . . . . 0.0 110.817 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.07 -47.55 82.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.536 0.208 . . . . 0.0 110.779 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.82 -34.25 76.91 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -67.74 -49.52 62.1 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.69 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.69 -32.61 73.73 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.804 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -53.95 -40.88 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.447 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -61.98 -23.01 66.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -60.02 -30.39 69.13 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.02 -23.98 22.46 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.2 p -97.1 -3.71 40.71 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.99 18.66 27.36 Favored Glycine 0 CA--C 1.551 2.307 0 C-N-CA 121.682 -0.294 . . . . 0.0 112.555 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -75.08 81.54 2.26 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.969 0.414 . . . . 0.0 111.155 -172.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -109.17 83.55 2.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.62 -26.43 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.555 2.17 . . . . 0.0 113.014 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -74.73 82.23 2.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.962 0.411 . . . . 0.0 110.877 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 16.6 m -87.96 145.1 26.18 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.54 161.27 30.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -126.82 7.75 6.78 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.989 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.412 ' C ' ' H ' ' A' ' 101' ' ' SER . 9.6 m95 -68.89 147.36 97.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.777 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.99 26.4 0.33 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.157 2.571 . . . . 0.0 112.903 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.3 m -162.62 27.45 0.1 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.597 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 14.8 t -137.95 177.68 7.69 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.147 0.499 . . . . 0.0 111.152 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -175.53 27.75 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.038 178.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.04 152.75 21.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -128.58 148.18 50.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.023 0.44 . . . . 0.0 111.557 -176.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.84 163.77 25.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.67 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.37 0.25 33.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -133.22 139.61 47.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.166 0.508 . . . . 0.0 110.741 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.4 t -59.83 -41.85 92.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.65 -33.75 75.58 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.511 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.7 -42.42 97.16 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.13 -42.83 96.68 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.887 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.22 -43.47 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 120.885 0.374 . . . . 0.0 110.494 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -69.42 -33.92 73.7 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -67.17 -42.28 84.53 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.484 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.59 -33.39 66.15 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -16.72 64.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.453 0.168 . . . . 0.0 111.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -80.92 -19.31 44.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.494 0.188 . . . . 0.0 110.897 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 C--N 1.346 0.419 0 CA-C-O 120.711 0.291 . . . . 0.0 110.41 177.134 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.221 -0.424 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptm -136.43 154.67 50.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.796 0.332 . . . . 0.0 110.378 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 53.7 t -71.2 159.16 35.15 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.912 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.91 25.24 10.07 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.939 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.46 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 69.1 t80 -103.5 133.01 20.53 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.495 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 55.7 Cg_endo -71.45 1.57 5.41 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 C-N-CA 122.807 2.338 . . . . 0.0 113.546 -173.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.48 25.9 10.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 170.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -154.39 -87.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.592 0.357 . . . . 0.0 110.885 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.9 m120 46.84 42.12 11.55 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 -172.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -85.18 178.86 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.26 130.5 56.22 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 77.2 m-85 -113.7 162.91 15.69 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.878 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -115.84 -44.72 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 43.7 mmtm -85.67 120.16 26.8 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.23 -44.16 61.63 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-O 120.72 0.295 . . . . 0.0 110.474 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 p -68.21 -41.35 81.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.444 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.5 -29.16 66.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.861 0.362 . . . . 0.0 110.139 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.21 -41.98 63.16 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 169.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -58.46 -44.41 89.23 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.322 -0.236 . . . . 0.0 110.735 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.51 85.82 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.639 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 37.7 t60 -57.85 -38.31 75.44 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -59.08 -35.23 73.04 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.99 -38.62 70.69 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.001 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.81 -35.06 75.52 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.485 0.183 . . . . 0.0 111.015 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 26.3 m-70 -83.33 -26.41 30.59 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.218 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.494 1.728 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.135 172.072 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.667 0.27 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.46 151.62 51.83 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.552 1.056 0 CA-C-O 121.081 0.467 . . . . 0.0 111.316 179.424 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 . . . . . 0 CA--C 1.513 -0.449 0 CA-C-O 120.894 0.378 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -108.08 153.22 23.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.6 m-85 -132.72 164.8 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.14 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -107.88 7.78 28.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.499 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -162.71 155.16 18.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.8 p -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.22 -42.73 88.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.625 0.25 . . . . 0.0 111.05 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.77 -43.24 89.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.576 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.83 -48.26 77.49 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -63.69 -40.09 95.93 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.505 0.193 . . . . 0.0 110.927 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -57.26 -47.43 81.42 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 76.8 t60 -60.7 -37.96 83.42 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.146 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -53.34 -38.38 63.19 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.407 0.146 . . . . 0.0 111.073 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -55.52 -33.23 63.58 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 122.483 -0.136 . . . . 0.0 111.104 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -64.65 -38.77 92.13 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.106 0.162 . . . . 0.0 111.179 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -82.59 -31.32 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.558 0.218 . . . . 0.0 111.131 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -82.6 -38.6 23.39 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.23 -1.95 43.7 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 121.436 -0.412 . . . . 0.0 112.63 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.47 144.43 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 121.109 0.48 . . . . 0.0 111.272 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -133.99 83.45 46.03 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.877 175.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.57 -15.34 17.43 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.593 2.195 . . . . 0.0 113.746 -169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -92.24 101.06 13.55 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.71 135.22 47.52 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.773 0.32 . . . . 0.0 111.029 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.63 148.15 51.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.545 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -94.33 -2.77 51.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.76 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -69.82 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.7 p -83.58 -16.12 46.55 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.838 -0.165 . . . . 0.0 111.171 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 76.51 13.62 2.39 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.981 0.513 . . . . 0.0 111.41 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -78.97 141.86 37.15 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.63 146.96 24.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 111.42 -176.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -137.31 162.16 34.29 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.863 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -102.62 -3.01 27.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.839 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -138.75 129.0 25.63 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.03 0.443 . . . . 0.0 111.556 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 p -51.19 -43.92 61.45 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -62.24 -34.82 77.24 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -76.8 -35.16 57.81 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.159 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.16 -44.65 75.5 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.67 -34.27 76.77 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.641 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.4 m -69.59 -49.39 54.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.623 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -62.6 -31.13 71.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -54.08 -40.68 67.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.903 0.481 . . . . 0.0 110.544 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -61.86 -22.9 65.92 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.138 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 m -57.25 -42.07 80.82 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -91.06 -18.78 24.01 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -98.6 -3.38 36.38 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.597 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.2 15.34 36.89 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.604 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.88 88.58 5.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.51 83.99 14.27 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.527 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.41 -25.7 2.48 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.55 2.167 . . . . 0.0 113.058 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -74.97 78.62 2.17 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.051 0.453 . . . . 0.0 110.851 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -80.77 146.1 31.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.8 t -70.56 161.32 30.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.114 0.483 . . . . 0.0 110.989 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -125.06 6.92 7.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.983 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -65.06 149.31 97.0 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.743 0.306 . . . . 0.0 110.459 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.52 12.58 0.51 Allowed 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 122.909 2.406 . . . . 0.0 113.316 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -150.28 24.11 0.82 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.113 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 46.8 t -138.6 151.35 47.18 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 121.139 0.495 . . . . 0.0 111.595 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -144.47 25.43 1.51 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.987 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -74.33 148.4 41.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.055 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -128.5 145.08 51.21 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.206 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.3 162.79 23.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.12 -0.72 43.84 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -135.58 141.96 45.23 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.214 0.531 . . . . 0.0 110.881 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -59.02 -45.25 91.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.885 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -67.38 -33.65 75.66 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.409 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.61 -41.1 94.09 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 tp -63.76 -43.97 94.83 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.744 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.97 -47.36 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.133 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.13 -46.5 85.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.588 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.59 -49.81 69.53 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.799 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -57.2 -37.78 72.7 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.856 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -15.74 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.039 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.6 mtt -113.42 7.73 17.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.346 0.423 0 CA-C-O 120.646 0.26 . . . . 0.0 110.972 -173.489 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--O 1.212 -0.893 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.43 151.03 49.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 169.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.3 t -69.55 166.56 18.68 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.522 171.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.28 14.21 0.59 Allowed 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.43 148.57 93.44 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -55.22 -10.23 2.91 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 122.744 2.296 . . . . 0.0 113.945 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.2 10.86 8.21 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 121.608 -0.329 . . . . 0.0 112.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.5 t -143.17 168.0 20.79 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.247 0.546 . . . . 0.0 111.496 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.62 24.02 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -76.26 150.41 37.01 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -170.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -98.68 127.12 44.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.222 0.534 . . . . 0.0 111.533 -172.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -109.37 170.13 8.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.357 1.063 . . . . 0.0 110.218 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -115.67 -8.92 12.03 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.502 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.67 143.12 50.06 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.014 0.435 . . . . 0.0 111.477 -176.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.73 -56.64 17.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.794 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -67.89 -38.42 82.99 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.899 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -70.42 -29.94 66.68 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -39.1 64.64 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.026 169.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.75 -38.56 85.6 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.193 -0.317 . . . . 0.0 110.426 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.31 -44.86 95.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -57.87 -41.32 82.24 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -59.1 -34.39 71.96 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.025 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -38.44 69.71 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -36.66 69.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.639 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -80.36 -20.75 43.41 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.797 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.482 1.14 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.009 175.195 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.624 0.25 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -88.61 136.28 33.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.864 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 CA--C 1.543 0.706 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 177.216 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.829 0.347 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -110.85 144.39 39.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.88 139.47 51.15 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.912 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 p -91.23 10.5 26.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.465 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -149.06 144.83 26.94 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.329 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -59.47 -44.44 93.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -34.04 74.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -72.12 -41.84 66.74 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.683 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.85 -45.38 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.54 -44.68 95.84 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.382 0.273 . . . . 0.0 111.183 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.524 ' NH1' HH11 ' A' ' 78' ' ' ARG . 39.7 ttp180 -59.08 -46.48 88.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 174.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.1 -37.49 82.93 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.32 -27.12 21.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 122.468 -0.145 . . . . 0.0 111.293 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.99 -33.06 62.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 122.466 -0.146 . . . . 0.0 110.965 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.93 71.96 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 120.556 0.217 . . . . 0.0 111.051 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -87.72 -2.63 58.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.288 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 p -127.49 -2.65 6.15 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.442 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.94 57.74 Favored Glycine 0 CA--C 1.545 1.937 0 C-N-CA 121.649 -0.31 . . . . 0.0 113.449 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.84 140.9 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 117.099 0.45 . . . . 0.0 111.292 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -130.75 88.79 45.24 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.767 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.63 -19.29 14.69 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.478 2.118 . . . . 0.0 113.531 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 97.9 m-85 -85.24 136.08 33.66 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -124.5 139.78 53.56 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.943 -0.117 . . . . 0.0 110.847 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.42 148.35 50.69 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.049 0.452 . . . . 0.0 110.403 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -2.76 58.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -76.48 0.57 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 -172.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.16 1.08 52.0 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 120.606 0.241 . . . . 0.0 111.411 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 59.11 22.87 11.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.48 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -72.19 134.4 45.65 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -95.18 144.91 25.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.073 0.463 . . . . 0.0 111.144 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.85 161.09 36.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.603 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 p -98.59 -9.59 24.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.72 -174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.524 HH11 ' NH1' ' A' ' 56' ' ' ARG . 37.1 mtm180 -137.6 138.56 39.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 p -57.09 -38.57 73.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.81 -42.2 88.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -67.3 -41.4 85.44 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.836 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -63.87 -47.18 81.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.474 0.178 . . . . 0.0 110.73 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.651 0.262 . . . . 0.0 110.655 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -66.2 -49.58 66.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.532 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -61.93 -34.87 76.88 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -54.22 -41.03 68.21 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -62.01 -22.96 66.13 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.951 -0.113 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -59.24 -46.2 89.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.338 0.255 . . . . 0.0 110.834 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -80.89 -18.66 46.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.737 0.303 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 m -91.88 -6.09 52.13 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.46 24.03 50.87 Favored Glycine 0 CA--C 1.545 1.941 0 C-N-CA 121.599 -0.334 . . . . 0.0 112.357 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -91.28 115.69 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.603 0.24 . . . . 0.0 111.016 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -125.15 83.42 60.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.173 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.21 -17.87 6.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.624 2.216 . . . . 0.0 112.994 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.1 m-85 -85.54 77.39 9.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.799 0.333 . . . . 0.0 110.729 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.822 ' HG ' ' NH2' ' A' ' 98' ' ' ARG . 77.6 p -85.45 143.16 28.74 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.965 0.412 . . . . 0.0 110.928 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.9 t -70.08 143.19 52.51 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.822 ' NH2' ' HG ' ' A' ' 96' ' ' SER . 5.8 mmp_? -107.06 6.71 29.22 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.146 -173.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.401 ' C ' ' H ' ' A' ' 101' ' ' SER . 8.9 m95 -63.72 150.74 90.23 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 120.75 0.309 . . . . 0.0 110.65 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.43 22.91 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.311 0 C-N-CA 122.978 2.452 . . . . 0.0 113.161 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.3 m -162.47 23.01 0.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.246 0.218 . . . . 0.0 110.997 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.6 t -146.65 158.29 43.88 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 120.988 0.423 . . . . 0.0 111.153 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -149.45 24.03 0.9 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.133 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 134.83 57.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.336 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 40.0 mttm -111.28 137.69 48.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.006 0.432 . . . . 0.0 111.465 -169.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -126.57 158.95 34.88 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.48 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.05 4.25 47.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.02 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -136.59 135.41 38.37 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.479 178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.3 p -58.46 -41.49 85.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.599 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.35 -33.76 75.9 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.771 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -61.29 -42.93 99.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.52 -40.01 88.93 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.791 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.14 -45.83 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 174.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.88 -47.03 86.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.344 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -54.46 -49.95 68.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.771 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -57.65 -38.09 74.48 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -15.66 63.62 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.139 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.4 mtt -113.0 4.62 16.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 110.978 -173.305 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 ptm -136.61 156.45 48.54 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.94 0.4 . . . . 0.0 111.651 169.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.9 t -68.1 160.08 29.63 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.343 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -105.91 -23.92 12.56 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.623 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.92 129.87 85.91 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.11 56.34 4.29 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.043 2.495 . . . . 0.0 112.747 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.47 -28.63 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t -84.91 -69.68 0.63 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.523 0.329 . . . . 0.0 110.401 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.26 40.1 1.11 Allowed 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.168 0.587 . . . . 0.0 111.62 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -78.16 155.65 30.32 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -102.8 132.15 49.18 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.105 0.479 . . . . 0.0 111.288 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -118.53 169.48 9.75 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.909 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -116.95 -51.96 2.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.186 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 44.5 mttp -79.29 113.24 17.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -48.64 -47.29 40.42 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.409 -175.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -68.21 -35.66 78.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.3 -32.9 73.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 120.744 -0.383 . . . . 0.0 109.988 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -44.13 64.93 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.235 171.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -58.16 -38.52 76.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -41.68 87.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.723 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -57.95 -38.76 76.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.579 0.228 . . . . 0.0 110.593 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 t -59.12 -34.65 72.29 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.136 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -55.6 -38.29 69.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -39.31 73.31 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.112 0.257 . . . . 0.0 110.857 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -79.69 -32.5 41.39 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.478 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.489 1.516 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.52 177.556 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.622 0.248 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.54 152.26 51.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.545 0.785 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.966 177.806 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.727 0.299 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -95.73 151.12 19.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.0 m-85 -134.59 164.76 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.961 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -109.54 5.44 23.17 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -151.28 157.21 42.25 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 172.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -59.33 -41.45 89.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.69 -36.57 80.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.342 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.92 -44.29 93.35 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.478 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.83 -45.91 80.52 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.983 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.05 -39.25 89.09 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.808 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -47.37 86.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.312 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 61.2 t60 -60.78 -37.94 83.59 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.157 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -53.24 -37.92 62.51 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.932 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -55.3 -33.18 63.05 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 122.489 -0.132 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.64 -36.99 80.03 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 120.495 0.188 . . . . 0.0 111.173 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -89.1 -30.33 18.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.265 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -90.3 -19.37 24.15 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.229 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.79 2.75 88.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 121.774 -0.251 . . . . 0.0 113.016 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 m -71.62 145.52 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.084 0.469 . . . . 0.0 111.01 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -132.37 83.89 53.46 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.269 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -65.5 -20.06 60.71 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.793 2.329 . . . . 0.0 113.456 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -102.15 131.11 48.86 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-O 120.471 0.177 . . . . 0.0 110.58 -175.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -124.29 141.55 51.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.563 0.221 . . . . 0.0 110.778 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.26 148.43 50.22 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 3.11 52.67 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.865 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.35 -75.46 0.59 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.528 -173.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.92 2.99 54.42 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.394 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 63.01 19.97 11.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 122.653 0.381 . . . . 0.0 111.605 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.83 125.12 24.9 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.432 0.293 . . . . 0.0 110.688 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -87.87 148.98 24.39 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.0 0.429 . . . . 0.0 111.062 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -143.98 155.89 44.2 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.197 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -95.74 -1.61 49.51 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.535 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -135.3 135.91 41.18 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.855 0.359 . . . . 0.0 110.803 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -62.16 -42.42 99.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.81 -36.1 82.79 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.278 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -67.25 -44.38 79.55 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 tt -64.39 -47.5 78.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.509 0.195 . . . . 0.0 110.8 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -61.03 -34.29 74.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.328 0.251 . . . . 0.0 110.574 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.2 m -69.78 -49.67 50.62 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.755 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -61.54 -33.57 74.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.764 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.12 -41.11 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.674 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -62.63 -23.13 66.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.609 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -62.23 -26.87 68.61 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 120.435 0.16 . . . . 0.0 110.666 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -94.76 -27.68 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.34 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.79 -6.24 52.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.94 9.09 45.33 Favored Glycine 0 CA--C 1.551 2.289 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.796 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.94 94.19 0.83 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -118.07 76.65 11.85 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.56 -20.34 12.31 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.543 2.162 . . . . 0.0 112.815 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.1 74.39 8.1 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.069 0.461 . . . . 0.0 110.656 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -78.99 145.92 33.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.617 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.72 120.02 16.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -88.42 6.96 34.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.429 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -63.27 144.79 97.39 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 120.658 0.266 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.72 30.12 0.35 Allowed 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 123.089 2.526 . . . . 0.0 112.681 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -163.73 22.05 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.926 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.6 t -141.15 172.33 12.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.151 0.5 . . . . 0.0 111.126 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.46 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.3 tp-100 -165.95 24.83 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -75.81 150.02 37.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -128.48 142.16 51.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.043 -172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -129.89 159.65 35.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.812 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.98 0.95 42.09 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.085 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -133.72 140.71 47.17 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.182 0.515 . . . . 0.0 110.813 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 p -59.9 -44.5 94.22 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.047 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -67.4 -33.71 75.76 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.447 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.68 -41.85 95.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.58 -41.83 92.42 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.997 175.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.03 -46.47 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-O 120.901 0.382 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.46 -46.63 88.23 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.487 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.95 -44.3 94.5 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.022 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.66 -33.4 66.34 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.784 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -16.34 63.81 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-N 116.974 -0.103 . . . . 0.0 111.183 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -81.67 -12.58 58.61 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.499 0.19 . . . . 0.0 111.028 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.343 176.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.216 -0.682 0 CA-C-O 120.573 0.225 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 ptm -136.57 146.12 45.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 168.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.59 157.98 25.54 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.508 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.68 16.5 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -79.4 134.61 58.23 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 120.669 0.271 . . . . 0.0 110.885 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.66 152.21 82.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.396 2.064 . . . . 0.0 111.885 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.3 -7.13 54.78 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.225 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.6 t -128.93 -87.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 122.53 0.332 . . . . 0.0 110.384 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.8 m120 51.14 26.61 2.95 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.883 0.473 . . . . 0.0 111.584 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.32 159.26 32.65 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 120.844 0.354 . . . . 0.0 111.036 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -98.74 134.64 41.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.416 -171.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -119.91 165.47 14.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.626 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -132.64 5.79 4.01 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.853 -174.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -143.74 98.84 3.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.272 0.229 . . . . 0.0 110.604 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.11 -42.22 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.656 -170.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.65 77.37 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 120.97 0.414 . . . . 0.0 112.082 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -45.18 92.24 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -34.19 75.9 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.47 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.26 -47.2 84.36 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.096 -0.377 . . . . 0.0 110.261 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.48 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -57.98 -41.07 82.18 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 120.705 0.288 . . . . 0.0 110.674 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 p -59.18 -35.13 73.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.591 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 ttm105 -55.94 -38.55 70.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -56.57 -36.15 68.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.048 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -89.67 -28.72 19.27 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 119.469 -0.3 . . . . 0.0 111.752 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.507 2.385 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.667 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -129.13 157.89 40.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 121.184 0.516 . . . . 0.0 111.12 -175.304 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.32 151.33 43.5 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.615 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -136.98 139.4 41.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 -175.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -84.0 1.69 42.52 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.714 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -146.3 147.03 30.95 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.972 0.415 . . . . 0.0 111.005 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 t -59.36 -41.83 90.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.3 -37.21 86.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.335 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.483 HE22 ' NH1' ' A' ' 56' ' ' ARG . 46.9 tp60 -69.14 -37.46 78.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 120.633 0.254 . . . . 0.0 110.599 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.22 -40.87 86.44 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -64.55 -36.4 84.09 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.471 0.177 . . . . 0.0 110.778 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' NH1' HE22 ' A' ' 53' ' ' GLN . 22.6 ttm180 -62.31 -47.72 83.04 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 171.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.2 t60 -60.76 -38.39 85.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.302 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -53.3 -38.46 63.17 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.147 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -33.3 71.96 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 122.456 -0.152 . . . . 0.0 110.929 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.17 -31.65 65.62 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.468 0.175 . . . . 0.0 111.043 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -102.6 -2.7 27.9 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -132.08 -9.69 3.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.69 -107.32 2.14 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.5 t 65.81 -68.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 123.348 0.659 . . . . 0.0 111.696 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 45.67 72.92 1.08 Allowed Pre-proline 0 N--CA 1.488 1.455 0 C-N-CA 122.891 0.476 . . . . 0.0 110.682 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.82 -17.78 32.5 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.853 2.368 . . . . 0.0 113.692 -169.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -83.53 124.28 30.59 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -124.29 134.16 53.28 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 122.326 -0.234 . . . . 0.0 110.487 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.76 124.45 21.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.08 0.467 . . . . 0.0 110.576 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -5.05 43.02 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.533 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -48.05 7.23 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.487 0.184 . . . . 0.0 110.588 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 11.4 p -115.51 -79.46 0.59 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 167.12 4.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.797 1.239 . . . . 0.0 110.109 -178.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.42 ' H ' ' H ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -56.75 110.27 0.77 Allowed 'General case' 0 C--N 1.349 0.579 0 C-N-CA 122.818 0.447 . . . . 0.0 110.666 -175.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -87.72 139.09 30.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.162 0.506 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -132.93 158.81 41.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.318 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 t -95.28 -4.32 45.85 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.422 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -138.09 141.12 40.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 p -62.35 -40.06 95.16 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -60.93 -37.49 82.51 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.304 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -69.34 -44.46 71.57 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 120.436 0.16 . . . . 0.0 110.644 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.77 -44.83 88.77 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.424 0.154 . . . . 0.0 110.942 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -65.92 -34.43 78.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.564 0.221 . . . . 0.0 110.569 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 m -63.6 -49.36 73.66 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.484 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -62.12 -36.01 80.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.3 m -57.99 -41.7 83.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.501 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -67.6 -23.81 65.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 122.429 -0.169 . . . . 0.0 110.828 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -71.89 -30.49 65.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.793 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -84.4 -24.6 29.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.656 0.265 . . . . 0.0 110.566 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -91.72 -6.1 52.53 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.65 17.39 53.83 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.172 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -79.06 93.02 5.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.597 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -118.06 79.73 14.43 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.641 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.0 -19.15 8.46 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.746 2.297 . . . . 0.0 113.181 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -78.53 77.8 5.01 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 0.0 110.729 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -78.79 145.87 34.1 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.28 161.1 31.0 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.551 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -117.37 -3.47 11.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.994 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -69.3 127.02 93.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.48 -14.2 36.59 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.563 2.175 . . . . 0.0 113.018 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -101.75 18.66 19.88 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.355 0.262 . . . . 0.0 111.151 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.33 -86.42 0.2 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.276 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 61.74 39.14 14.47 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.794 0.438 . . . . 0.0 111.379 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 160.58 29.82 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 170.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -124.31 140.37 53.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -128.89 161.02 30.82 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.672 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.44 0.61 40.06 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.055 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -135.86 139.18 43.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.151 0.5 . . . . 0.0 110.897 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.8 t -59.36 -42.89 92.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.987 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -67.39 -33.8 75.94 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.66 -43.28 97.83 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.73 -42.62 97.86 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.858 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.17 -47.58 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 120.681 0.277 . . . . 0.0 110.401 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -62.37 -46.89 86.59 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.259 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -55.37 -45.3 76.56 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.132 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -59.09 -33.57 70.98 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.546 0.212 . . . . 0.0 111.019 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.57 -15.66 62.28 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 122.413 -0.179 . . . . 0.0 111.107 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 46.1 mtt -80.22 -7.8 59.15 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.369 0.128 . . . . 0.0 111.089 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.349 0.55 0 CA-C-O 120.775 0.321 . . . . 0.0 110.464 176.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 . . . . . 0 C--O 1.214 -0.796 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.9 mtp -136.45 150.3 48.66 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 121.997 -0.439 . . . . 0.0 110.011 168.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -71.05 158.36 36.63 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 -28.24 11.35 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.21 138.77 73.56 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.119 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.19 151.82 83.78 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.475 2.117 . . . . 0.0 112.19 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.91 -26.65 2.04 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -96.48 -88.53 0.28 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.426 0.291 . . . . 0.0 110.471 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m120 46.42 38.66 5.58 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -86.72 164.07 16.96 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.55 148.27 26.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.27 0.557 . . . . 0.0 111.646 -172.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -135.41 160.47 38.36 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.579 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.57 -50.72 2.61 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -77.17 123.89 27.05 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.635 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.48 -47.0 66.8 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.438 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 p -68.07 -36.07 79.23 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -34.93 69.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -32.28 71.62 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.998 169.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.57 -40.94 93.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 122.272 -0.267 . . . . 0.0 110.645 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -42.58 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 172.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.94 -45.03 87.22 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -59.18 -35.0 72.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.09 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -55.71 -38.17 69.37 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.543 0.211 . . . . 0.0 110.697 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.23 -38.77 71.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -87.21 -33.97 19.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.551 0.215 . . . . 0.0 110.877 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.926 171.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.812 0.339 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.59 155.72 48.18 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.971 169.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 t . . . . . 0 CA--C 1.542 0.636 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -178.176 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.03 148.94 23.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -174.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -133.66 161.66 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.571 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 p -108.12 7.26 27.51 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -158.23 156.83 31.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.237 0.541 . . . . 0.0 111.669 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -58.67 -44.48 90.22 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.022 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.85 -34.15 76.14 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.251 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.88 -46.23 88.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.683 0.278 . . . . 0.0 110.462 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.19 -45.58 84.23 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.08 -37.97 89.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.53 0.205 . . . . 0.0 110.853 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -61.2 -45.78 93.18 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.298 172.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.429 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 64.5 t60 -60.66 -39.56 88.83 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.875 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.32 -37.84 62.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.125 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -55.17 -33.35 62.91 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 122.291 -0.255 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -66.69 -38.42 86.75 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.11 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -82.26 -31.31 30.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.591 0.234 . . . . 0.0 111.083 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -79.01 -49.74 12.21 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.772 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.22 -3.39 25.3 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -72.74 138.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.074 0.464 . . . . 0.0 111.424 -173.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -138.78 80.85 24.14 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.301 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.48 -19.82 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 122.654 2.236 . . . . 0.0 113.279 -171.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -83.84 92.76 7.84 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.345 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -98.91 135.46 40.3 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.62 148.15 51.49 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.464 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -98.47 8.15 45.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.56 -59.8 1.97 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 29.5 p -99.56 -22.15 15.59 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.281 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 91.26 6.18 0.08 Allowed 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.801 0.841 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -61.68 128.09 34.58 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.739 0.304 . . . . 0.0 110.62 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.57 138.4 36.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.944 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -130.28 163.12 27.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -105.63 3.12 28.82 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.21 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.49 122.04 17.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 -175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.2 p -51.92 -42.08 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.915 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.37 -34.88 74.51 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.393 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -73.42 -39.63 64.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.807 175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tt -68.11 -42.72 79.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.425 0.155 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.38 -39.8 95.49 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.695 0.283 . . . . 0.0 110.416 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 m -62.93 -49.5 74.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.559 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -62.46 -34.87 77.67 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.074 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -54.31 -41.35 68.86 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.676 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -65.06 -22.82 67.03 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.376 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.1 p -68.29 -30.16 69.1 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.908 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -93.66 -20.54 20.08 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.814 0.34 . . . . 0.0 110.747 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 m -97.56 4.85 50.19 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.8 26.46 5.64 Favored Glycine 0 CA--C 1.547 2.043 0 C-N-CA 121.437 -0.411 . . . . 0.0 112.613 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.26 92.21 9.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.892 0.377 . . . . 0.0 110.916 -169.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -113.66 87.43 12.01 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -87.17 -21.98 1.85 Allowed 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 122.65 2.233 . . . . 0.0 112.985 -176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.7 m-85 -79.6 79.37 6.08 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -175.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 t -81.75 143.01 32.12 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.6 t -70.48 161.21 30.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.3 0.571 . . . . 0.0 111.149 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -131.89 14.5 4.8 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.754 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.74 163.76 52.2 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -48.34 107.23 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.006 2.471 . . . . 0.0 112.944 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t 65.66 16.84 10.68 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.158 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.6 t -88.75 164.56 15.21 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.174 0.511 . . . . 0.0 110.933 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 5.0 tp-100 -165.43 29.28 0.06 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.425 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -71.16 128.2 35.11 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.146 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -105.5 142.26 35.56 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -171.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.05 159.37 34.37 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.653 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.66 4.03 42.92 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -138.73 136.21 35.53 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 110.406 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.4 p -58.22 -42.99 87.47 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.8 -177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -67.21 -33.52 75.54 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.676 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -60.53 -41.24 94.05 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.07 -45.4 92.34 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.599 173.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.91 -43.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.406 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.22 -46.54 88.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -54.44 -49.72 69.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.664 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -56.73 -39.1 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.777 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -17.31 63.29 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 120.569 0.223 . . . . 0.0 111.115 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.7 mtp -108.07 6.16 26.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 122.478 0.311 . . . . 0.0 110.935 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 120.733 0.302 . . . . 0.0 111.047 -172.741 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -136.63 154.15 50.73 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.753 0.311 . . . . 0.0 110.438 168.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 43.7 t -71.02 166.52 21.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.073 169.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -117.92 -15.71 9.96 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.143 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -65.19 128.74 94.06 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.545 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.23 -38.25 51.0 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.942 2.428 . . . . 0.0 113.188 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.47 9.48 49.32 Favored Glycine 0 CA--C 1.548 2.113 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.906 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.01 -86.53 0.21 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.691 0.246 . . . . 0.0 110.845 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.94 21.5 10.53 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.654 0.382 . . . . 0.0 111.154 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -78.95 162.96 25.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -173.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -98.83 131.04 45.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.34 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.65 159.77 21.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.547 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -118.91 -10.43 9.89 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.771 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 77.9 mttt -124.97 134.27 52.68 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.64 -50.44 73.48 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 p -67.94 -35.81 79.05 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.33 -40.61 81.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.63 -39.01 80.94 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.427 171.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -45.32 88.07 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.266 -0.271 . . . . 0.0 110.41 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.33 -41.13 96.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -57.97 -38.86 76.82 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.596 0.236 . . . . 0.0 110.473 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -59.2 -35.21 73.2 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -56.02 -38.36 70.42 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.874 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -38.97 77.21 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.989 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -80.0 -26.91 39.68 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.284 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.396 169.732 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.628 0.252 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.63 156.22 47.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.148 169.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -94.24 151.61 19.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.1 m-85 -135.55 162.51 32.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.17 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -103.2 0.44 31.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.643 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -155.61 160.55 40.53 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.886 0.374 . . . . 0.0 110.97 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -44.56 96.28 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.45 -33.95 77.07 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -70.49 -40.96 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.703 0.287 . . . . 0.0 110.769 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.26 -41.1 94.61 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.61 -36.87 85.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.543 0.211 . . . . 0.0 111.067 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.63 -47.44 85.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.5 t60 -60.9 -37.4 82.11 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.256 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -53.35 -38.07 62.96 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.866 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -55.35 -33.23 63.21 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.364 0.126 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.11 -33.57 76.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.176 0.191 . . . . 0.0 111.197 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -83.15 -38.44 22.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.732 0.301 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -86.77 -19.52 28.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.467 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.81 2.4 70.37 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 121.576 -0.345 . . . . 0.0 112.467 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.19 108.34 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.915 0.388 . . . . 0.0 110.795 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -112.72 90.38 15.01 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.85 -20.57 5.33 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.533 2.155 . . . . 0.0 113.367 -169.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -81.37 80.25 7.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.73 133.94 34.79 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.039 0.447 . . . . 0.0 111.25 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.69 124.62 22.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.261 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -10.05 6.16 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.79 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -64.83 1.1 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.19 0.196 . . . . 0.0 110.975 -173.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -106.01 2.66 27.54 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.456 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 64.56 16.62 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.85 0.46 . . . . 0.0 111.816 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -65.65 121.94 16.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.67 0.271 . . . . 0.0 110.531 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.87 123.82 33.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.946 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -114.1 162.47 16.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.448 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 p -99.42 -10.21 22.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -135.15 147.27 49.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -68.67 -39.19 80.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -63.17 -34.97 78.78 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -76.1 -38.43 56.95 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.849 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.13 -41.76 90.04 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.539 0.209 . . . . 0.0 110.752 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -65.86 -36.27 82.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.747 0.308 . . . . 0.0 110.603 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -66.61 -49.27 66.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.632 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -61.96 -34.92 77.01 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -57.38 -41.48 80.29 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.604 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -65.8 -23.44 66.7 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.466 -0.146 . . . . 0.0 110.865 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -71.6 -27.7 63.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.911 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -91.4 -18.63 23.94 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.652 0.263 . . . . 0.0 110.843 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -98.49 -6.45 30.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.16 13.26 53.0 Favored Glycine 0 CA--C 1.547 2.078 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.442 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.96 96.98 5.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -122.95 84.76 50.5 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.396 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -85.57 -19.45 3.5 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.721 2.281 . . . . 0.0 113.155 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.8 80.37 8.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 89.0 p -82.94 143.43 30.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.353 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.2 t -70.35 160.48 32.2 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.487 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 -134.8 13.35 3.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.552 -174.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.425 ' C ' ' H ' ' A' ' 101' ' ' SER . 6.7 m95 -63.37 155.43 74.78 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 19.37 0.22 Allowed 'Trans proline' 0 CA--C 1.554 1.483 0 C-N-CA 122.926 2.418 . . . . 0.0 113.332 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 99' ' ' TRP . 56.2 m -163.33 26.34 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 122.214 0.206 . . . . 0.0 110.939 175.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -147.97 160.59 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.174 0.512 . . . . 0.0 111.544 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -155.23 25.54 0.42 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.069 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -63.65 138.88 58.68 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.487 -175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 79.5 mttt -109.64 143.23 39.66 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.988 0.423 . . . . 0.0 111.438 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.79 162.63 25.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.385 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.5 3.9 43.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -136.71 136.76 39.29 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 110.617 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 p -58.0 -45.27 87.08 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.749 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.16 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.441 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.6 -41.63 95.13 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.98 -44.49 89.15 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.86 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.03 -43.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.156 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -62.42 -46.87 86.61 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.384 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -55.03 -49.84 70.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.79 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -56.83 -39.27 73.91 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.015 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -72.77 -15.67 61.65 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.567 0.222 . . . . 0.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtt -105.31 3.86 30.34 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.945 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.345 0.403 0 CA-C-O 120.673 0.273 . . . . 0.0 110.947 -172.56 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.412 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 65.4 m-85 . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.366 0.127 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.509 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -80.52 142.93 33.7 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 118.67 -1.212 . . . . 0.0 111.96 -173.403 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 52.8 t -64.11 167.74 6.15 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.526 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.41 -8.14 10.09 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.17 140.39 90.68 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.775 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.71 149.28 90.62 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.426 2.084 . . . . 0.0 112.028 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.9 -31.24 2.27 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.332 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -96.53 -94.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 122.356 0.262 . . . . 0.0 110.685 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 57.22 18.64 4.34 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 122.969 0.507 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.16 152.57 42.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.15 0.18 . . . . 0.0 110.587 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 36.4 mtm180 -98.57 127.04 44.35 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 -171.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -104.3 170.06 8.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -120.46 -5.41 9.82 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.294 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -138.02 147.53 44.25 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.032 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.4 tt -75.06 -48.49 23.69 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.682 -175.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 p -68.05 -36.01 79.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.049 0.452 . . . . 0.0 111.805 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -43.64 87.53 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -32.31 73.73 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.641 170.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.7 -38.66 91.94 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.003 -0.435 . . . . 0.0 110.645 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.63 -42.2 95.64 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.14 -39.94 80.05 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.834 0.349 . . . . 0.0 110.427 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 m -59.31 -26.78 65.28 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.055 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.44 68.8 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.341 0.115 . . . . 0.0 110.747 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -56.41 -40.71 75.13 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.682 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.63 -4.72 57.67 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.63 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.346 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.79 0.328 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -132.68 154.51 50.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.921 0.391 . . . . 0.0 110.801 177.309 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -130.0 155.23 46.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.353 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 72.4 m-85 -136.3 164.84 27.16 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -173.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -103.14 -7.84 20.96 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.489 -175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm-85 -148.82 157.56 43.53 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -43.41 97.57 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.13 -35.22 79.91 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.363 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.498 HE22 ' NH1' ' A' ' 56' ' ' ARG . 45.4 tp60 -69.16 -41.0 77.83 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.759 0.314 . . . . 0.0 110.525 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.56 -44.29 94.56 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.661 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -60.66 -43.04 98.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.791 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' NH1' HE22 ' A' ' 53' ' ' GLN . 19.6 ttm180 -58.25 -47.43 83.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.628 0.252 . . . . 0.0 110.395 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.71 -41.67 95.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.775 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -53.48 -38.22 63.44 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.27 63.26 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 122.218 -0.301 . . . . 0.0 110.933 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.14 -36.2 76.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.191 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -85.81 -31.75 22.14 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.564 0.221 . . . . 0.0 111.235 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -97.23 -11.88 23.65 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.91 8.06 57.04 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 121.621 -0.323 . . . . 0.0 112.705 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.41 136.54 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.055 0.455 . . . . 0.0 110.961 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -132.59 90.76 32.23 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.12 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 94.9 Cg_endo -85.53 -12.89 6.3 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.593 2.195 . . . . 0.0 112.883 -173.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -95.25 123.89 39.0 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.06 140.0 53.39 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.603 0.239 . . . . 0.0 110.798 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.68 148.22 51.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.052 0.453 . . . . 0.0 110.609 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 10.51 37.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.195 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -58.84 1.26 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.839 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.8 p -105.37 0.48 26.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.154 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.07 22.47 11.68 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.734 0.414 . . . . 0.0 111.774 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -75.83 133.83 40.53 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.725 0.298 . . . . 0.0 110.543 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -96.62 147.81 23.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.188 0.518 . . . . 0.0 111.479 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -142.54 161.83 37.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 52.3 m -97.22 -2.04 43.65 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.558 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -137.08 134.71 36.78 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -63.65 -42.77 98.07 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.817 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.45 -42.17 91.37 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.79 -44.77 95.3 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.426 -0.171 . . . . 0.0 110.881 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.27 -45.53 91.06 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.48 0.181 . . . . 0.0 110.844 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.51 -35.71 80.24 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.712 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.2 m -67.57 -49.76 61.67 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.437 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.68 -33.09 73.38 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.008 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -53.94 -40.43 66.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.815 0.446 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -22.63 65.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.657 -175.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 m -54.34 -38.66 66.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.557 0.343 . . . . 0.0 111.213 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -78.23 -22.31 48.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.743 0.306 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -91.71 -6.23 52.34 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 21.23 36.42 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 121.567 -0.349 . . . . 0.0 112.59 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 149.67 43.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -172.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -155.16 78.52 4.73 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.202 171.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.56 -20.26 10.91 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.512 2.141 . . . . 0.0 113.123 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.8 m-85 -83.38 75.97 9.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -175.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 37.7 t -78.9 144.71 34.63 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 175.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.05 151.87 45.02 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -118.39 7.04 11.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.964 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.418 ' C ' ' H ' ' A' ' 101' ' ' SER . 11.4 m95 -65.5 150.05 96.44 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 120.667 0.27 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.86 24.85 0.29 Allowed 'Trans proline' 0 CA--C 1.552 1.407 0 C-N-CA 122.893 2.395 . . . . 0.0 113.002 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.5 m -163.41 21.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.909 177.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 20.1 t -148.44 173.81 12.71 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.2 13.78 0.05 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.662 175.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 130.82 38.87 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 120.808 0.337 . . . . 0.0 110.678 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 60.0 mtpt -98.35 137.4 37.11 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.111 -172.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -129.13 167.27 17.82 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.974 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.05 -11.84 19.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.405 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -130.83 143.61 50.86 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.129 0.49 . . . . 0.0 110.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.5 p -59.3 -41.42 88.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.56 -33.74 75.64 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -60.69 -42.53 97.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.19 -40.34 90.36 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.917 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.12 -47.65 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.182 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.2 -46.79 87.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -58.09 -47.84 81.99 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.931 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -56.63 -33.66 66.52 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.901 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -19.52 65.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 120.446 0.165 . . . . 0.0 111.117 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.1 mtt -77.63 -31.22 52.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.598 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.346 0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 110.416 177.058 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 120.404 0.145 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -136.39 151.26 49.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.016 0.436 . . . . 0.0 111.226 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.2 t -69.72 172.48 7.47 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.012 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -143.45 6.62 1.48 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.375 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -67.27 137.33 93.94 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.21 0.6 3.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.726 2.284 . . . . 0.0 113.586 -169.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.28 3.65 23.68 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.525 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -135.22 -89.27 0.34 Allowed 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.706 0.253 . . . . 0.0 111.195 -172.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.26 38.71 30.79 Favored 'General case' 0 CA--C 1.562 1.428 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.72 158.88 19.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -100.62 127.43 47.02 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.111 0.482 . . . . 0.0 111.304 -172.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -111.87 169.98 8.46 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.216 1.006 . . . . 0.0 110.566 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -123.79 -25.22 4.32 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.498 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 10.2 mptt -109.09 129.08 55.47 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.289 0.235 . . . . 0.0 110.444 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.0 tp -52.68 -50.42 63.32 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 p -68.23 -37.68 81.09 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.17 -29.53 64.1 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.835 0.35 . . . . 0.0 110.187 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.99 63.84 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.858 169.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.25 -43.38 87.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.7 mmt -59.14 -46.29 88.74 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.81 -42.8 84.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -58.93 -31.21 68.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.236 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -55.66 -38.32 69.44 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 121.359 -0.136 . . . . 0.0 110.683 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.47 -32.95 65.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -89.51 -20.41 23.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 122.707 0.403 . . . . 0.0 111.757 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.976 -172.762 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -132.85 157.91 43.86 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.775 0.322 . . . . 0.0 110.561 170.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.79 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.29 169.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -117.71 153.83 32.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.637 -174.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -137.72 164.68 28.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.947 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -100.92 -21.47 15.07 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.486 ' NH2' HE21 ' A' ' 53' ' ' GLN . 94.8 mtm-85 -131.3 150.18 52.26 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.996 0.427 . . . . 0.0 110.747 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -58.19 -37.74 75.36 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -67.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.289 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.486 HE21 ' NH2' ' A' ' 50' ' ' ARG . 80.4 mt-30 -65.63 -46.41 79.35 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.697 0.284 . . . . 0.0 110.354 174.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.34 -40.35 96.09 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.794 174.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.63 -42.43 91.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.593 0.357 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.406 ' NH1' HH11 ' A' ' 78' ' ' ARG . 6.4 mtp180 -56.98 -47.5 80.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.8 t60 -60.94 -36.6 79.78 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.458 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -53.17 -38.12 62.5 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 120.552 0.215 . . . . 0.0 110.817 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -55.27 -33.06 62.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.477 0.18 . . . . 0.0 111.117 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -65.52 -31.53 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.59 0.233 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -95.63 -4.42 44.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -134.65 -6.21 2.5 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -169.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.61 1.2 Allowed Glycine 0 CA--C 1.538 1.5 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.9 t 67.84 -67.52 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 123.456 0.702 . . . . 0.0 111.685 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt 46.55 73.8 0.92 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 122.692 0.397 . . . . 0.0 110.736 -170.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.18 -17.92 30.95 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.769 2.313 . . . . 0.0 113.615 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -83.78 132.7 34.81 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -124.55 139.88 53.47 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 122.365 -0.209 . . . . 0.0 110.9 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.44 148.62 50.15 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.038 0.447 . . . . 0.0 110.298 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -90.09 2.45 55.24 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.604 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.57 -76.76 0.57 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.447 -173.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.7 p -87.3 -2.17 58.43 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 122.477 0.311 . . . . 0.0 111.367 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 62.38 24.42 14.54 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.79 0.436 . . . . 0.0 111.487 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.25 126.96 31.21 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 173.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -89.77 141.82 28.26 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.067 0.461 . . . . 0.0 111.175 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -131.88 161.66 32.49 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.345 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.5 p -99.36 -8.16 25.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.529 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.406 HH11 ' NH1' ' A' ' 56' ' ' ARG . 39.4 mtm180 -138.14 142.89 40.12 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.012 0.435 . . . . 0.0 110.921 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -63.82 -35.91 82.16 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.788 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.27 -40.95 96.0 Favored 'General case' 0 CA--C 1.568 1.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.926 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -65.08 -46.29 81.71 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 122.51 -0.119 . . . . 0.0 110.826 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.55 -45.78 92.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.518 0.199 . . . . 0.0 110.841 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -65.65 -34.57 78.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.755 0.312 . . . . 0.0 110.675 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -65.5 -49.42 69.08 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.634 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.79 -38.15 84.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.8 m -54.21 -41.2 68.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.806 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -62.34 -23.01 66.54 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.924 -0.125 . . . . 0.0 111.176 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 p -67.78 -37.52 82.16 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.391 0.139 . . . . 0.0 110.926 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -80.21 -23.02 41.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.482 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.77 -5.93 52.68 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.68 22.21 52.53 Favored Glycine 0 CA--C 1.545 1.932 0 C-N-CA 121.62 -0.324 . . . . 0.0 112.343 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.37 97.74 9.65 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.87 0.367 . . . . 0.0 110.77 -173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -122.59 83.78 48.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.518 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -85.88 -25.68 1.42 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.709 2.272 . . . . 0.0 113.048 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -73.4 82.3 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.879 0.371 . . . . 0.0 110.779 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -87.46 139.76 30.22 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.19 134.67 48.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -103.2 10.33 37.8 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.124 -174.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -64.84 151.03 93.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 120.782 0.325 . . . . 0.0 110.69 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.28 9.44 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 122.857 2.371 . . . . 0.0 113.151 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -145.25 18.85 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 122.212 0.205 . . . . 0.0 111.19 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -147.1 157.15 43.51 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -148.49 23.21 1.02 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.076 170.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.409 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.8 mtmm -67.48 143.89 55.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -176.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -119.18 140.17 50.61 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.003 0.43 . . . . 0.0 111.453 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.49 162.67 23.48 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.533 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.85 0.28 43.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.242 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -135.96 142.83 44.61 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.246 0.546 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.6 p -61.23 -43.69 98.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.954 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -67.44 -33.51 75.3 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 122.171 0.189 . . . . 0.0 111.43 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.6 -41.21 94.31 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.022 -0.424 . . . . 0.0 109.936 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.38 -44.15 75.8 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.08 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.7 m -58.25 -43.2 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 120.86 0.362 . . . . 0.0 110.207 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.72 -47.06 85.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 71.7 t60 -55.07 -48.74 73.09 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.76 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -57.23 -39.76 76.19 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.855 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -15.73 63.54 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.143 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 57.3 mtt -111.31 5.34 19.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.443 0.297 . . . . 0.0 110.993 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 110.904 -173.314 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 120.472 0.177 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ptm -136.45 156.3 48.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 169.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -67.45 153.51 43.53 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.691 173.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.65 -10.08 14.51 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.785 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -68.18 122.35 83.76 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.83 71.31 2.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 123.006 2.471 . . . . 0.0 112.529 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.45 -22.91 0.08 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.4 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 t -104.19 -74.56 0.64 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.682 0.393 . . . . 0.0 110.092 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 48.67 41.78 18.31 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.413 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -82.49 157.73 23.48 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.608 175.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.72 127.29 44.6 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.135 0.493 . . . . 0.0 111.317 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.65 170.04 8.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 123.991 0.916 . . . . 0.0 110.465 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.55 -26.25 4.59 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.583 -175.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 30.0 mtmm -109.04 123.23 48.82 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.731 0.301 . . . . 0.0 110.33 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -49.02 62.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.129 -176.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 m -68.3 -36.67 79.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.08 -29.39 65.23 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.746 0.308 . . . . 0.0 110.283 -179.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -43.6 61.26 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.962 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.3 -38.75 77.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.383 -0.198 . . . . 0.0 110.658 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.61 94.11 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.699 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -57.89 -41.93 83.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.78 65.88 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.581 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -55.52 -38.34 69.1 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.47 -36.6 69.27 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.708 0.29 . . . . 0.0 110.896 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -89.9 -16.89 29.07 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 122.999 0.519 . . . . 0.0 112.037 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.39 -169.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -132.69 147.9 52.34 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.519 0.199 . . . . 0.0 110.624 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.546 0.802 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.404 169.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 148.31 27.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.742 -176.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.8 m-85 -138.5 164.77 28.55 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.001 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -109.06 -20.43 13.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.491 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.65 146.47 44.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.05 0.452 . . . . 0.0 110.575 173.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.5 t -60.64 -36.84 79.66 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.413 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.51 -36.66 83.26 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.351 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.53 -50.84 71.06 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.62 -44.25 96.56 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -47.16 84.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.288 0.235 . . . . 0.0 110.931 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.04 -47.46 80.87 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.77 -36.75 79.75 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.601 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.09 -38.26 62.41 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.703 0.287 . . . . 0.0 110.454 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -55.13 -32.99 62.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.087 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -55.76 -33.14 64.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.52 0.328 . . . . 0.0 111.49 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -32.05 9.0 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.634 0.255 . . . . 0.0 111.251 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.2 p -86.52 -5.26 59.19 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -173.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.8 7.94 45.04 Favored Glycine 0 CA--C 1.544 1.853 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.793 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -70.02 106.02 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.906 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -117.03 83.84 15.51 Favored Pre-proline 0 N--CA 1.475 0.809 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.12 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.88 -14.6 8.68 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.619 2.213 . . . . 0.0 113.12 -171.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.06 130.21 35.56 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -124.14 141.27 52.2 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.46 148.36 50.73 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.021 0.438 . . . . 0.0 110.418 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 6.56 47.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.866 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.62 -64.28 1.12 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.744 -172.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.6 p -96.61 -6.39 36.87 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.352 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 19.68 10.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.894 0.478 . . . . 0.0 111.438 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -74.66 130.33 39.32 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.845 0.355 . . . . 0.0 110.472 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -92.65 144.56 25.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 111.183 -177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -134.84 159.86 40.04 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.9 p -98.33 0.02 44.71 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.529 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -135.24 134.09 39.66 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 p -64.0 -39.82 94.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.665 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -64.74 -42.04 95.47 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.82 -42.21 97.69 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 122.435 -0.166 . . . . 0.0 110.853 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.32 -46.7 82.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.412 0.149 . . . . 0.0 110.705 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.42 -34.27 76.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.724 0.297 . . . . 0.0 110.561 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.7 m -66.95 -49.61 64.92 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -54.12 -40.76 67.62 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.92 -27.49 68.86 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.062 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.6 m -62.63 -35.96 81.28 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.395 0.14 . . . . 0.0 111.017 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -86.27 -25.1 25.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.671 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 m -91.68 -6.01 52.78 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.54 15.57 47.15 Favored Glycine 0 CA--C 1.546 2.016 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.365 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.57 90.67 3.92 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.015 0.436 . . . . 0.0 110.808 -174.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -117.77 83.7 18.69 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.474 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -84.48 -17.74 5.15 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.645 2.23 . . . . 0.0 113.051 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.855 0.36 . . . . 0.0 110.99 -175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 m -80.25 140.91 36.01 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.994 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.7 t -70.2 139.3 52.29 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 8.64 33.53 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.58 152.36 86.04 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 120.726 0.298 . . . . 0.0 110.764 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.65 4.64 2.91 Favored 'Trans proline' 0 CA--C 1.547 1.172 0 C-N-CA 122.819 2.346 . . . . 0.0 113.105 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -143.11 25.39 1.75 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -153.19 157.4 40.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 111.195 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -148.38 22.55 1.05 Allowed 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.065 169.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.2 mtmm -65.42 135.76 55.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.479 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 16.6 ptmt -111.79 136.24 51.33 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 111.549 -169.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -119.92 164.9 15.36 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.527 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.07 0.11 34.38 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.175 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -133.84 139.94 46.57 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 110.744 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -59.39 -43.68 92.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.885 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.48 -33.69 75.64 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.523 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -60.76 -42.77 98.13 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.62 -41.84 92.26 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.964 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.5 t -58.11 -47.63 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.28 -46.74 87.71 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.549 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.432 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 61.3 t60 -54.9 -50.12 69.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.711 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.06 -38.62 73.52 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.882 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -15.68 63.56 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.083 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.7 mtt -114.56 9.77 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.934 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.345 0.373 0 CA-C-O 120.772 0.32 . . . . 0.0 110.978 -174.325 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.211 -0.969 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.8 ptm -136.44 151.44 49.5 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.068 0.461 . . . . 0.0 111.359 169.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.8 t -71.88 167.07 20.81 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.324 169.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.59 -1.4 7.42 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.309 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -68.66 123.9 88.87 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -52.51 -28.02 34.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.888 2.392 . . . . 0.0 113.667 -173.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -0.32 86.41 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 22.7 t -130.33 -85.74 0.52 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 122.562 0.345 . . . . 0.0 110.658 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 23.85 14.11 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 122.727 0.411 . . . . 0.0 111.431 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HE3' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -81.69 167.25 19.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.722 0.296 . . . . 0.0 110.986 -176.624 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.43 133.77 52.67 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.163 0.506 . . . . 0.0 111.393 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.81 168.28 10.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.978 0.911 . . . . 0.0 110.851 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -114.58 -52.65 2.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -77.22 118.41 19.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -48.04 -49.81 30.05 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.803 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.7 p -67.94 -35.6 78.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -35.08 74.91 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.923 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -36.77 67.11 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 172.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -48.55 80.9 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.11 -0.369 . . . . 0.0 110.058 174.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.18 -47.13 82.01 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -57.79 -41.55 82.32 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.523 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -59.45 -36.67 76.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -56.37 -37.95 70.76 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.638 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.3 -33.72 65.82 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.665 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.23 -21.36 50.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.363 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 178.243 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -132.71 154.18 50.42 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.71 0.29 . . . . 0.0 110.955 170.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.7 t . . . . . 0 CA--C 1.545 0.767 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.676 172.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 120.794 0.331 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -121.59 153.9 37.46 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.6 m-85 -135.94 164.6 27.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.183 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -105.95 0.4 25.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.608 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -148.48 153.81 38.97 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.885 0.374 . . . . 0.0 111.007 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -61.64 -44.59 96.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.861 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -62.71 -33.98 76.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -72.52 -43.11 64.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.558 0.218 . . . . 0.0 110.721 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.95 -43.38 95.06 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.83 -44.99 94.68 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.176 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.15 -45.3 93.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.665 0.269 . . . . 0.0 110.326 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 t60 -60.74 -38.72 86.11 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.18 -35.29 59.66 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.732 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -54.78 -33.28 61.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.746 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -55.65 -47.64 76.31 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.087 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -71.1 -31.53 67.91 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.974 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -71.02 -21.85 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.247 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 -5.27 8.61 Favored Glycine 0 CA--C 1.554 2.491 0 C-N-CA 121.686 -0.292 . . . . 0.0 113.032 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.0 t -76.19 137.2 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -119.42 85.38 31.39 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.201 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.9 -21.12 7.12 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.639 2.226 . . . . 0.0 113.211 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -77.88 83.07 4.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 120.847 0.356 . . . . 0.0 110.667 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -90.71 131.32 36.46 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.761 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.1 t -64.67 126.64 28.55 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.302 0.572 . . . . 0.0 111.354 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -7.55 7.3 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.662 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -65.81 1.02 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.302 0.241 . . . . 0.0 110.805 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.93 1.29 19.02 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 120.658 0.266 . . . . 0.0 111.574 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 66.37 14.4 9.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.259 0.624 . . . . 0.0 111.78 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.09 118.14 4.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 169.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 140.42 29.53 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.031 0.443 . . . . 0.0 111.006 -175.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -134.08 163.99 28.34 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.287 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 p -99.57 -9.26 23.45 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.35 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -137.0 148.39 46.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.042 0.448 . . . . 0.0 111.162 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 p -69.65 -40.34 76.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.04 -34.91 78.58 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-O 120.545 0.212 . . . . 0.0 110.988 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -66.67 -46.57 75.23 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.75 -47.56 83.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.624 0.25 . . . . 0.0 110.979 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -62.31 -34.39 76.52 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.507 0.323 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 m -68.6 -49.58 58.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.597 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -62.51 -30.83 71.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.5 m -54.15 -40.23 67.23 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -61.61 -22.82 65.57 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.861 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.42 -39.35 67.24 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.014 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -19.9 20.0 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 120.519 0.2 . . . . 0.0 111.061 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -91.66 -6.25 52.45 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.6 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.88 9.63 41.07 Favored Glycine 0 CA--C 1.545 1.911 0 C-N-CA 121.299 -0.476 . . . . 0.0 112.861 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -80.79 99.3 8.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.871 0.367 . . . . 0.0 110.99 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.46 84.87 36.57 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.73 -24.78 2.15 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.557 2.171 . . . . 0.0 112.909 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -75.93 80.58 2.81 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -85.46 139.69 31.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.42 161.07 31.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 5.98 10.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.165 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -70.89 158.48 87.99 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.19 110.12 0.33 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.188 2.592 . . . . 0.0 113.194 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.0 t 59.97 20.31 9.37 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.047 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.439 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 32.0 t -80.29 -84.72 0.09 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.579 0.228 . . . . 0.0 110.643 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.55 18.73 11.35 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.944 0.498 . . . . 0.0 111.48 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 46.4 mtmt -65.63 134.17 52.71 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -109.36 144.93 36.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.046 0.451 . . . . 0.0 111.742 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -128.34 162.75 26.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.58 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.04 -1.62 39.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -134.19 140.59 46.61 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 p -57.31 -45.52 84.13 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.755 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -67.17 -33.7 75.96 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.442 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.68 -41.56 95.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.13 -43.37 87.3 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.957 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.06 -41.52 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.321 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.63 -46.89 80.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -54.42 -49.22 70.47 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.66 -41.02 76.52 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -71.0 -15.59 62.58 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.231 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.6 mtt -107.32 3.43 25.38 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.008 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 111.052 -172.725 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--O 1.215 -0.732 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -136.66 154.38 50.65 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.982 0.42 . . . . 0.0 111.586 169.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 46.4 t -77.68 -178.4 5.32 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.243 169.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -132.41 -16.39 2.72 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.32 133.07 95.53 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-O 120.445 0.164 . . . . 0.0 110.686 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.54 -33.39 57.81 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.703 2.269 . . . . 0.0 113.184 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.82 7.86 64.65 Favored Glycine 0 CA--C 1.547 2.033 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.742 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -147.56 -89.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.393 0.277 . . . . 0.0 110.717 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.74 39.51 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -175.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 172.02 7.96 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.862 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -101.98 137.45 40.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 111.87 -170.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 78.9 m-85 -119.07 168.33 10.93 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.702 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -123.71 -30.77 3.54 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.725 -174.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 6.3 mptp? -100.69 118.48 36.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.793 0.33 . . . . 0.0 110.347 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -46.87 -52.7 13.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 p -68.11 -35.83 78.77 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.71 -36.09 79.98 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -44.07 68.09 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.057 171.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.23 -41.5 84.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.344 -0.222 . . . . 0.0 110.779 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.46 82.71 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.703 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 25.2 t60 -57.9 -39.23 77.4 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.562 0.22 . . . . 0.0 110.48 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -59.09 -35.0 72.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.946 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -38.6 70.28 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.39 -34.08 66.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.247 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -84.05 -28.83 27.35 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.563 177.102 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.777 0.322 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -132.64 156.74 46.38 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.54 0.562 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 177.842 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -130.88 151.35 51.41 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.3 m-85 -140.39 164.64 29.58 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.178 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 p -113.24 7.06 17.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.593 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -156.2 153.2 28.83 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 111.064 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 m -56.23 -44.48 79.64 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.616 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.98 -38.26 90.41 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.313 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -61.43 -49.77 75.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.672 0.272 . . . . 0.0 110.272 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.46 -46.38 90.31 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.85 -42.29 98.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.083 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.68 -46.13 91.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.63 -39.91 90.01 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.128 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -53.32 -37.31 62.16 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.215 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -55.22 -33.21 62.89 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 122.511 -0.118 . . . . 0.0 111.047 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -60.38 -34.09 73.4 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.157 0.183 . . . . 0.0 111.36 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -90.55 -41.54 11.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.725 0.298 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -77.88 -16.37 58.31 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.355 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.44 7.01 67.27 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 121.661 -0.304 . . . . 0.0 113.041 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.83 137.33 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.03 0.443 . . . . 0.0 111.011 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.44 77.92 75.14 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.103 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.3 -14.96 22.83 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.668 2.246 . . . . 0.0 113.133 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -89.61 126.84 35.78 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -124.33 132.69 53.56 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.401 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 37.0 t -64.78 124.14 21.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.524 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -62.71 -11.74 19.31 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.62 178.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.99 -74.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.335 0.254 . . . . 0.0 110.829 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.72 1.03 56.65 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 64.91 17.35 11.0 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.638 0.375 . . . . 0.0 111.435 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -66.45 122.27 17.17 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-O 120.811 0.339 . . . . 0.0 110.279 175.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -89.4 146.07 24.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.306 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -141.5 161.83 36.96 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.423 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -101.93 -3.41 27.88 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.667 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.34 130.35 36.83 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.4 t -58.07 -39.39 78.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.74 -34.99 79.46 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.538 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -75.86 -34.77 60.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.9 -0.136 . . . . 0.0 110.86 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.29 -46.9 72.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.622 0.249 . . . . 0.0 110.616 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -61.91 -34.38 75.95 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.723 0.297 . . . . 0.0 110.613 176.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 -49.5 56.81 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -61.97 -32.4 72.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.0 m -54.14 -41.1 68.05 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -62.01 -23.23 66.3 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.475 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -67.39 -29.35 68.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.893 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -92.99 -23.49 18.67 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.682 0.277 . . . . 0.0 110.751 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 m -91.85 -6.07 52.24 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.382 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.7 16.08 49.91 Favored Glycine 0 CA--C 1.546 2.002 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.483 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 95.51 5.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.719 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -121.5 79.34 37.73 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.471 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.38 -17.97 6.16 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.629 2.22 . . . . 0.0 113.034 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.75 77.44 9.5 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.0 p -78.81 143.85 35.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 14.0 t -70.48 161.27 30.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.142 0.496 . . . . 0.0 111.098 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -123.48 7.16 8.95 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.863 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.22 158.66 83.68 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 120.816 0.341 . . . . 0.0 111.009 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.95 113.54 1.13 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.831 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t 61.13 27.96 17.69 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.822 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.9 t -79.96 171.19 15.43 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-O 121.131 0.491 . . . . 0.0 110.746 172.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.451 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -161.74 24.4 0.12 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.665 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.411 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 2.7 mppt? -95.78 140.73 30.15 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 120.692 0.282 . . . . 0.0 110.535 -176.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -128.51 146.49 50.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.925 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -129.39 162.9 26.98 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.82 34.04 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.103 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -134.18 142.25 47.36 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.661 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.7 p -57.83 -45.12 86.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.674 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.32 -33.65 75.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.699 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.81 -38.36 85.12 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.2 tp -67.53 -43.25 81.23 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.803 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.02 -41.64 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.161 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.09 85.18 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.419 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.53 -49.09 73.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.804 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.62 -39.6 73.91 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.946 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -72.4 -15.56 61.84 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 120.494 0.187 . . . . 0.0 111.208 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.3 mtp -103.94 -1.76 27.15 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.965 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.346 0.418 0 CA-C-O 120.681 0.277 . . . . 0.0 111.107 -171.48 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 C--O 1.213 -0.859 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.4 ptm -103.67 144.21 31.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.197 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 t -80.19 141.99 35.12 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.007 171.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.74 11.46 2.69 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -63.71 119.47 54.63 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -48.31 106.86 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.711 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.68 -39.12 1.98 Allowed Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -170.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.76 173.71 6.22 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.068 0.547 . . . . 0.0 110.719 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.71 117.67 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.292 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -154.1 173.7 15.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.347 0.118 . . . . 0.0 110.898 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -136.59 133.76 36.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -130.27 163.53 26.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.591 -173.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -120.02 -44.35 2.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.06 112.64 13.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.564 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.91 -49.67 8.33 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.85 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 p -68.05 -35.5 78.34 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -34.67 67.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.989 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -38.19 66.36 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.618 170.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.23 87.16 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.6 tpt -63.02 -47.61 82.35 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.07 -41.27 83.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.624 0.25 . . . . 0.0 110.646 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 m -59.24 -28.17 66.46 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -55.35 -38.34 68.65 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.81 -177.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.5 -34.01 68.63 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.619 0.247 . . . . 0.0 110.963 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -89.84 -2.73 58.28 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.903 0.481 . . . . 0.0 112.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.486 1.355 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.271 177.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 157.16 16.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.916 0.388 . . . . 0.0 110.755 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.535 0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.591 171.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.17 147.26 51.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.079 177.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.17 164.78 29.15 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.584 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -105.37 -12.23 16.12 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.615 0.245 . . . . 0.0 111.49 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.25 143.86 49.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 110.59 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -58.54 -37.97 76.8 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.55 -42.71 97.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.066 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.78 -50.98 70.17 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.436 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.76 -46.64 87.1 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.933 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.02 -41.07 97.57 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.376 0.27 . . . . 0.0 111.124 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -63.46 -47.13 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.56 -36.49 78.61 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.105 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.18 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.395 0.278 . . . . 0.0 110.777 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -55.45 -32.9 63.14 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.719 -0.218 . . . . 0.0 111.488 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -55.69 -34.61 65.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.047 0.139 . . . . 0.0 111.29 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.17 -44.81 11.22 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.643 0.258 . . . . 0.0 110.942 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -77.19 -14.32 59.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 -173.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.92 3.51 60.16 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.913 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.88 124.19 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.818 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -124.53 78.76 62.45 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.233 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.0 -20.38 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.698 2.265 . . . . 0.0 113.039 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -79.07 79.54 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.786 0.327 . . . . 0.0 110.648 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -90.81 130.5 36.77 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.864 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.77 125.52 25.06 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.189 0.518 . . . . 0.0 111.048 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -2.21 1.59 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.035 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -61.65 1.56 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.242 0.217 . . . . 0.0 111.001 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.4 p -113.66 4.11 15.92 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.439 -172.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 62.32 17.88 9.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.996 0.518 . . . . 0.0 111.869 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -57.49 107.49 0.44 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -88.01 133.78 33.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -129.05 162.54 27.42 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.352 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -104.43 4.89 33.76 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -136.62 137.98 40.7 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.3 p -71.7 -35.51 70.25 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.72 -37.5 82.29 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.002 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -64.64 -45.26 87.54 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 172.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.61 -46.69 81.56 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.488 0.185 . . . . 0.0 111.009 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.31 -34.22 77.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.711 0.291 . . . . 0.0 110.676 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.7 m -69.14 -49.68 54.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.648 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.4 -32.86 73.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.818 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 m -53.94 -40.25 66.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.967 0.507 . . . . 0.0 110.786 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -61.89 -22.77 65.84 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.22 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.2 m -54.34 -35.54 62.83 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.46 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -94.93 -33.46 12.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.359 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.9 p -91.4 -6.14 53.32 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.144 -169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.97 2.29 30.02 Favored Glycine 0 CA--C 1.547 2.061 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.009 173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.75 92.93 0.91 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.937 0.368 . . . . 0.0 110.627 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -119.31 82.34 23.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.29 -18.19 8.63 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.671 2.247 . . . . 0.0 113.226 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 91.5 m-85 -81.97 79.48 8.48 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.926 0.393 . . . . 0.0 110.992 -175.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 t -78.7 146.02 34.21 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.7 t -70.39 161.26 30.8 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.362 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -125.78 5.34 7.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.803 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.405 ' C ' ' H ' ' A' ' 101' ' ' SER . 8.7 m95 -64.26 149.62 94.14 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.771 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.12 23.34 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 123.032 2.488 . . . . 0.0 113.129 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.7 m -162.54 27.07 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.342 0.257 . . . . 0.0 110.771 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.8 t -139.04 152.7 47.8 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-O 121.086 0.47 . . . . 0.0 111.183 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -146.6 32.54 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.923 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -80.91 143.16 32.88 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -118.82 142.71 47.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.55 161.72 26.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.584 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.16 -0.97 37.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -133.03 139.13 47.05 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.13 0.49 . . . . 0.0 110.747 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 5.3 p -57.1 -44.72 83.46 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.654 177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.61 -33.38 74.87 Favored 'General case' 0 CA--C 1.558 1.264 0 O-C-N 122.251 -0.281 . . . . 0.0 111.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -40.98 96.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.56 -44.3 87.21 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.856 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.8 -41.41 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 120.81 0.338 . . . . 0.0 110.34 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.87 -46.85 80.07 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.538 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -54.53 -49.49 70.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.724 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.74 -39.49 74.05 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -17.0 63.71 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.102 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -108.74 3.76 23.0 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.03 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.379 0 CA-C-O 120.66 0.267 . . . . 0.0 111.017 -172.691 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 C--O 1.211 -0.961 0 N-CA-C 110.437 -0.208 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.4 mtp -135.93 143.57 45.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.951 0.405 . . . . 0.0 110.666 169.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.45 158.72 23.11 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.354 171.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.97 20.04 3.02 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -85.91 122.44 72.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 171.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.73 96.59 0.25 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.385 2.057 . . . . 0.0 111.631 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.11 -22.27 1.25 Allowed Glycine 0 CA--C 1.543 1.843 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -169.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.0 -79.81 0.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.896 0.479 . . . . 0.0 110.257 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 56.7 40.8 29.01 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 122.82 0.448 . . . . 0.0 111.469 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -99.95 167.73 10.31 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.919 0.39 . . . . 0.0 111.262 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -99.4 127.19 45.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.522 -171.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -103.44 167.17 9.98 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.818 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -129.39 47.42 2.49 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.357 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -179.84 142.85 0.17 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.095 175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.53 -55.67 14.44 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.773 0.32 . . . . 0.0 110.365 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -67.97 -35.68 78.79 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.974 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.57 65.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.105 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -32.9 65.44 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.737 169.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -41.81 92.92 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.095 -0.378 . . . . 0.0 110.385 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 mmt -59.29 -49.85 76.26 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -58.22 -33.98 69.9 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.154 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -60.97 -35.25 76.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -56.31 -38.47 71.31 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.92 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -30.93 66.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.497 0.189 . . . . 0.0 111.027 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.64 -21.18 22.91 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.671 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.478 0.951 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.223 171.603 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.52 157.71 43.96 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.813 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.511 175.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 148.24 40.13 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.554 -178.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 70.4 m-85 -139.06 139.25 37.72 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.408 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.3 m -81.91 -4.19 56.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.272 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -134.41 136.38 43.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.583 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -56.4 -41.51 76.42 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.619 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.82 -36.47 76.86 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.354 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -72.76 -34.23 66.86 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.21 -48.92 74.04 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.502 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.94 -44.22 82.3 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.679 0.276 . . . . 0.0 110.833 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.14 -47.38 85.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 175.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 57.2 t60 -60.72 -43.19 98.16 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.38 -32.06 47.64 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -54.91 -33.26 61.91 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 122.349 -0.219 . . . . 0.0 110.628 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -42.41 96.5 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.179 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -86.53 -7.3 58.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.455 -173.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.2 p -122.11 -2.96 9.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.561 -171.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.24 5.51 21.56 Favored Glycine 0 CA--C 1.55 2.227 0 C-N-CA 121.515 -0.374 . . . . 0.0 113.079 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.91 118.13 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.8 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -122.39 87.2 48.6 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 83.3 Cg_endo -85.06 -11.99 7.27 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.577 2.185 . . . . 0.0 112.927 -172.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -94.39 127.01 40.0 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.13 141.28 52.19 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.623 0.249 . . . . 0.0 110.943 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 74' ' ' ARG . 51.9 t -64.49 148.29 50.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.102 0.477 . . . . 0.0 110.318 174.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -86.21 -3.25 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 -77.06 0.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.782 -169.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.74 -2.43 57.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.618 0.247 . . . . 0.0 111.246 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 58.17 33.39 23.11 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.719 0.408 . . . . 0.0 111.026 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.437 ' H ' ' HB3' ' A' ' 69' ' ' CYS . 5.0 mmm180 -72.3 130.8 41.64 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.09 140.06 33.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.995 0.426 . . . . 0.0 110.846 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.66 157.8 45.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 71.2 m -97.04 -3.15 41.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.478 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -132.82 130.37 39.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -176.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.6 p -63.5 -35.03 79.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.241 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.46 -46.43 79.86 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.953 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -63.85 -39.03 93.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.247 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.55 -47.09 85.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.404 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.32 -34.24 76.25 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.3 m -69.65 -49.49 53.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.705 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -60.7 -37.06 80.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -53.87 -39.41 65.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -61.61 -27.82 68.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.481 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 m -54.5 -43.38 71.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 120.574 0.226 . . . . 0.0 111.179 173.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -84.77 -18.43 35.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.948 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.75 -2.85 56.78 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.05 23.19 59.14 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.423 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.82 133.39 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 -174.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -144.37 81.47 11.28 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.43 -23.86 11.15 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.466 2.111 . . . . 0.0 113.08 -171.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.2 m-85 -80.59 79.83 7.14 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.6 m -84.78 140.99 30.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.0 t -70.42 161.29 30.78 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -114.89 -84.66 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.513 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 5.6 m95 55.03 176.28 0.04 OUTLIER Pre-proline 0 CA--C 1.577 2.006 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.67 -33.56 70.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.31 2.007 . . . . 0.0 112.624 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -167.75 75.49 0.14 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 37.9 t -138.08 160.31 39.71 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.063 0.459 . . . . 0.0 111.122 177.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.414 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 21.4 mm-40 -150.38 21.61 0.83 Allowed 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.5 mppt? -62.61 128.2 34.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -108.46 140.6 41.55 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.318 -170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.3 160.88 32.58 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.57 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.36 -0.93 40.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -133.52 139.13 46.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.651 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.2 p -61.02 -40.69 94.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.42 -33.63 75.56 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.47 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -60.86 -42.55 98.07 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.2 tp -66.4 -40.12 89.42 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.983 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.13 -46.44 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.74 -46.98 87.26 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.779 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.77 -40.39 75.77 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.816 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -16.4 62.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 0.0 111.059 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 40.8 ttm -105.48 2.01 28.16 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.115 -172.152 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.3 ttp -97.73 138.83 34.52 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.38 155.12 15.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.55 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.69 -12.71 12.15 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.43 116.46 40.22 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-O 120.493 0.187 . . . . 0.0 110.577 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -64.56 104.82 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.363 2.042 . . . . 0.0 111.257 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.57 -23.98 2.33 Favored Glycine 0 CA--C 1.539 1.568 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.478 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 10.7 t -126.37 -80.47 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.082 0.553 . . . . 0.0 110.311 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.97 37.67 29.11 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.694 0.398 . . . . 0.0 111.488 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -90.0 162.51 15.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.906 0.384 . . . . 0.0 111.238 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -98.7 141.7 31.19 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 111.425 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -127.83 164.21 22.7 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.69 -8.14 10.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 72.7 mmtt -125.59 135.53 52.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -47.38 86.7 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.084 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 p -68.14 -35.89 78.81 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -77.09 -35.67 56.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.853 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.4 -36.73 79.55 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.917 169.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -42.73 86.74 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 175.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.7 tpt -61.88 -44.47 96.74 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.487 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -58.11 -36.06 72.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.846 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -59.22 -35.21 73.22 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.546 0.212 . . . . 0.0 110.9 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -56.03 -38.25 70.3 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.36 -32.58 70.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.438 -177.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 27.1 m-70 -77.94 -21.45 51.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.204 173.133 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -132.54 150.85 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.142 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 42.5 t . . . . . 0 CA--C 1.547 0.847 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 120.79 0.329 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -95.21 156.64 16.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.4 m-85 -135.66 164.75 27.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.2 p -107.8 4.66 25.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -163.8 155.42 16.72 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.752 0.31 . . . . 0.0 110.694 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -44.17 81.9 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.6 -42.8 75.36 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.324 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.24 -37.37 66.38 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.089 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 39' ' ' CYS . 15.1 tp -64.06 -48.56 75.75 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.795 0.331 . . . . 0.0 110.563 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -58.71 -42.57 88.95 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.572 0.349 . . . . 0.0 110.967 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.01 -45.17 91.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.3 t60 -60.87 -36.91 80.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.259 -179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -53.37 -38.09 63.02 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.475 0.179 . . . . 0.0 110.786 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.53 -33.21 63.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.961 -0.109 . . . . 0.0 111.217 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.49 -35.92 82.5 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.167 0.187 . . . . 0.0 111.222 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -82.51 -43.96 16.53 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -73.77 -25.31 60.09 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.01 2.38 86.85 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-N 116.562 -0.29 . . . . 0.0 112.476 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.41 130.77 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.114 0.483 . . . . 0.0 111.052 -174.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -129.55 80.43 71.88 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.141 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.6 -8.85 17.2 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.731 2.288 . . . . 0.0 112.825 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -96.92 75.16 2.66 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.737 0.304 . . . . 0.0 110.594 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.494 ' NE2' ' H ' ' A' ' 68' ' ' GLN . 1.9 pm0 -91.1 136.41 33.1 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -64.69 129.56 40.26 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.232 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -9.11 15.29 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.624 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 -60.52 1.52 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.288 0.235 . . . . 0.0 110.907 -175.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.03 1.66 13.3 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.408 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.09 14.58 9.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 122.787 0.435 . . . . 0.0 111.772 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -51.59 108.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 170.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -87.87 135.62 33.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.44 -170.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -132.14 161.4 33.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -108.41 2.2 22.24 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -137.51 120.71 16.8 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.941 -174.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -54.45 -35.38 62.95 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.57 -46.28 83.46 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 120.663 0.268 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -63.69 -36.37 83.63 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.949 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.14 -47.11 72.05 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.65 -34.28 72.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.865 0.365 . . . . 0.0 110.555 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.4 m -70.41 -49.66 46.66 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.6 -30.45 71.56 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.0 m -54.08 -40.69 67.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.719 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -62.0 -23.14 66.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.122 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -54.59 -41.28 69.71 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.63 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -94.89 -26.3 16.22 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.114 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.5 m -91.48 -6.22 52.97 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.32 -17.14 1.97 Allowed Glycine 0 CA--C 1.551 2.313 0 C-N-CA 121.32 -0.467 . . . . 0.0 113.283 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.19 95.58 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.968 0.413 . . . . 0.0 110.855 -175.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.21 92.87 37.35 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -82.73 -21.31 5.05 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.517 2.145 . . . . 0.0 113.514 -169.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 89.5 m-85 -83.39 79.04 9.54 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -88.69 144.48 26.25 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.929 0.395 . . . . 0.0 111.185 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 32.6 t -70.41 152.81 43.66 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -121.39 11.9 10.79 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.083 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -65.78 159.22 70.71 Favored Pre-proline 0 CA--C 1.556 1.182 0 CA-C-O 120.634 0.254 . . . . 0.0 110.685 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.98 -33.88 54.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 C-N-CA 123.112 2.541 . . . . 0.0 113.533 -171.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.4 p -149.73 87.18 1.48 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.694 0.283 . . . . 0.0 110.538 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.1 t -160.97 -77.51 0.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 57.05 37.67 28.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 169.8 7.29 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -128.78 140.74 51.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.562 0.22 . . . . 0.0 111.107 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.32 154.95 46.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.657 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.05 -4.37 52.58 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -133.1 139.27 47.03 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.13 0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.5 p -57.19 -46.23 83.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.63 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.43 -33.69 76.28 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.412 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.11 -45.09 93.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.681 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.93 -41.43 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.526 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -65.83 -46.87 76.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.48 -49.66 69.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.788 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.08 -39.1 74.31 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.938 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -16.96 63.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.8 mtt -110.52 6.62 22.13 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.959 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.344 0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 111.0 -173.291 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 58.6 m-85 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -136.29 153.77 51.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.73 0.3 . . . . 0.0 110.542 169.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 15.4 t -67.66 161.58 25.52 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.8 172.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -106.8 -35.91 6.83 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.472 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -53.63 134.86 54.6 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 122.286 0.234 . . . . 0.0 111.399 -172.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.87 65.08 4.04 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.158 2.572 . . . . 0.0 112.48 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.53 -10.57 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.24 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.0 t -125.46 -79.78 0.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.641 0.376 . . . . 0.0 110.048 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.4 21.23 5.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.01 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -179.41 4.14 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.53 157.54 16.17 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.336 0.589 . . . . 0.0 111.487 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -145.02 170.42 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.35 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' LYS . 9.5 t80 -108.72 -126.84 0.26 Allowed 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PHE . 92.5 mttt -11.37 106.37 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.385 1.074 . . . . 0.0 112.625 174.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.3 pt? -47.36 -43.86 23.48 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -177.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -67.99 -36.04 79.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.696 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.26 92.49 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.135 171.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.23 -38.73 90.34 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 122.349 -0.219 . . . . 0.0 110.472 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.9 tpt -64.61 -46.06 84.22 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.705 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -57.83 -44.25 86.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.036 0.446 . . . . 0.0 109.813 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -58.93 -35.16 72.63 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.649 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.8 tpt85 -58.88 -38.5 78.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.876 -0.147 . . . . 0.0 110.751 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.57 -35.03 71.75 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.452 0.168 . . . . 0.0 110.975 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -75.56 -21.42 57.89 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.273 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.673 171.331 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.538 0.209 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.95 151.79 52.01 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.651 172.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 170.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 . . . . . 0 CA--C 1.514 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.11 151.48 30.77 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.189 0.519 . . . . 0.0 111.15 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.31 139.43 35.44 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.061 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 p -86.4 4.09 40.91 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -173.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -143.97 140.85 29.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -44.55 78.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.685 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -58.18 -42.56 86.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -63.54 -48.77 76.13 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.857 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.63 -49.4 77.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 120.624 0.25 . . . . 0.0 110.695 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.99 -41.69 97.43 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.158 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -62.04 -47.43 84.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.777 0.322 . . . . 0.0 110.199 172.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -60.72 -36.78 79.71 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.041 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -53.11 -38.32 62.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.081 177.804 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -55.32 -32.96 62.9 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.035 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.86 -33.51 64.61 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.562 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -91.95 -40.69 10.99 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.561 0.219 . . . . 0.0 111.043 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.0 p -79.42 -10.55 59.83 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.395 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.81 4.74 48.76 Favored Glycine 0 CA--C 1.544 1.905 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.195 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.82 120.15 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.778 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -123.34 71.68 46.63 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.89 -21.24 12.61 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.695 2.263 . . . . 0.0 112.928 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -81.44 76.38 8.37 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 47.8 tt0 -90.87 135.99 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.777 0.322 . . . . 0.0 111.175 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.19 124.4 22.53 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 172.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.67 -9.85 55.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.171 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -70.62 0.67 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.349 0.259 . . . . 0.0 110.848 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.9 p -93.3 -5.78 48.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.477 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 68.51 21.2 8.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.902 0.481 . . . . 0.0 111.244 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -72.4 117.06 13.59 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 120.753 0.311 . . . . 0.0 110.584 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 96.9 mttt -87.81 137.9 31.93 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.83 158.87 39.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.7 m -102.49 -3.18 27.28 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.311 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -133.6 138.12 45.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.998 0.428 . . . . 0.0 110.862 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 p -68.28 -35.83 78.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.11 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.62 -41.72 98.25 Favored 'General case' 0 CA--C 1.568 1.656 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -63.48 -47.5 81.52 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.53 -47.64 85.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.967 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.81 -36.93 85.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.7 m -65.16 -50.03 67.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.533 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.51 -38.49 91.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.718 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.4 m -54.21 -41.62 68.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -64.37 -22.93 67.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.096 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 m -54.4 -41.15 68.93 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.31 0.244 . . . . 0.0 110.971 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -76.25 -18.61 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.614 0.245 . . . . 0.0 111.06 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 p -96.09 -6.23 39.0 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.26 7.63 33.05 Favored Glycine 0 CA--C 1.557 2.668 0 C-N-CA 121.593 -0.337 . . . . 0.0 112.823 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.43 103.61 4.85 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -119.98 91.59 45.75 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.221 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.06 -20.84 4.13 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.554 2.169 . . . . 0.0 113.058 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.6 m-85 -81.48 75.46 8.44 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -176.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.6 t -78.92 145.92 33.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.07 154.76 41.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 3.7 12.0 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.989 -176.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . 0.404 ' C ' ' H ' ' A' ' 101' ' ' SER . 13.9 m95 -65.91 147.38 98.81 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 120.747 0.308 . . . . 0.0 110.735 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.54 28.64 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.996 2.464 . . . . 0.0 112.862 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.6 m -163.35 20.55 0.08 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.083 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.3 t -146.52 168.33 21.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.229 0.538 . . . . 0.0 111.168 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.2 tp-100 -166.09 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.209 170.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -72.42 145.33 47.73 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.037 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -118.61 140.35 50.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -171.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.72 162.71 23.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.698 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.04 -6.44 38.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -133.58 143.66 48.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.254 0.549 . . . . 0.0 111.034 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.419 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 p -60.52 -43.16 97.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.921 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -67.43 -33.78 75.88 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.425 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.73 -42.43 97.3 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.99 -40.37 91.12 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.949 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.13 -47.53 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.216 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.21 -46.73 88.75 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -57.29 -45.15 84.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.096 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.33 -33.33 67.61 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.91 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.66 63.01 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.193 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 43.5 mtt -86.94 -1.05 57.55 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.296 0.238 . . . . 0.0 111.054 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 C--N 1.345 0.391 0 CA-C-O 120.676 0.275 . . . . 0.0 110.434 177.362 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.398 0.142 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mtp -136.18 157.34 47.06 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 49.7 t -72.03 169.52 15.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.22 169.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -142.13 8.32 1.84 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.791 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD1' ' HB3' ' A' ' 31' ' ' HIS . 45.9 t80 -74.35 138.99 74.89 Favored Pre-proline 0 CA--C 1.551 0.998 0 O-C-N 122.185 -0.322 . . . . 0.0 110.393 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.88 84.42 0.52 Allowed 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.715 2.277 . . . . 0.0 112.15 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 2.24 0.89 Allowed Glycine 0 CA--C 1.545 1.932 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.553 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 t -131.6 -74.79 0.52 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.78 0.29 . . . . 0.0 110.859 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 39.95 58.17 2.19 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 122.868 0.467 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' H ' ' HB3' ' A' ' 9' ' ' CYS . 48.4 mttp -97.65 -177.55 3.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.435 174.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 142.45 50.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.069 0.462 . . . . 0.0 111.739 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -129.76 169.69 14.8 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.45 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -118.05 -14.67 9.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.611 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -130.14 129.96 44.16 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.411 0.284 . . . . 0.0 110.75 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -57.84 -47.6 82.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.391 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -67.9 -46.51 71.4 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.913 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -30.24 69.48 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.547 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -40.54 64.89 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 122.195 -0.316 . . . . 0.0 111.015 170.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -58.05 -38.47 76.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.83 -44.84 92.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.706 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -58.01 -39.05 77.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.238 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -59.18 -27.84 66.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -55.39 -38.46 68.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -56.34 -33.54 65.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.09 177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 41.8 m-70 -89.62 -33.01 16.83 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.2 p . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 120.85 0.357 . . . . 0.0 110.05 173.598 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.48 140.13 30.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.55 0.966 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 169.806 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -108.59 131.47 54.83 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.33 164.62 15.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.02 -37.96 11.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.347 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.5 mtm-85 -111.68 153.1 26.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.151 0.5 . . . . 0.0 111.195 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.85 82.64 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.614 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.46 -35.15 80.05 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.382 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.488 HE21 ' NH2' ' A' ' 50' ' ' ARG . 88.5 mt-30 -64.27 -48.95 73.75 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 176.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.12 -43.43 98.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.05 -45.86 91.67 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.557 0.217 . . . . 0.0 110.883 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.69 -44.02 90.16 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.685 0.278 . . . . 0.0 110.286 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -60.73 -42.24 96.93 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -53.46 -30.62 41.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.301 0.24 . . . . 0.0 111.456 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -54.96 -33.05 62.02 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 120.495 0.188 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -57.91 -44.63 86.93 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.362 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -80.62 -25.97 38.05 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.704 0.288 . . . . 0.0 111.321 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -97.29 -1.41 44.74 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.294 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.17 11.86 28.17 Favored Glycine 0 CA--C 1.547 2.063 0 C-N-CA 121.704 -0.284 . . . . 0.0 113.307 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.1 131.77 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-O 121.128 0.49 . . . . 0.0 111.188 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.24 78.05 65.14 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.267 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -85.46 -20.51 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.658 2.238 . . . . 0.0 112.961 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 97.6 m-85 -78.03 84.88 4.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.686 0.279 . . . . 0.0 110.748 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -90.42 141.55 28.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 111.186 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.18 148.96 48.84 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.675 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.18 -8.04 58.78 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.68 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.22 -79.03 0.58 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.806 -173.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.4 p -81.13 -10.36 59.67 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.514 0.197 . . . . 0.0 111.168 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 67.84 29.21 6.78 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.968 0.507 . . . . 0.0 111.504 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.13 129.97 40.29 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 120.661 0.267 . . . . 0.0 110.461 170.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -89.09 145.13 25.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -141.85 167.51 21.97 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.525 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -104.24 -5.66 21.67 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -142.89 119.64 11.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.756 0.312 . . . . 0.0 111.07 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.406 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 10.1 p -61.58 -20.64 63.52 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.7 -37.74 73.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -73.84 -31.17 63.07 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.643 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.37 -47.79 69.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.523 0.202 . . . . 0.0 110.839 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.74 -37.36 86.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.827 0.346 . . . . 0.0 110.428 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.3 m -63.35 -49.49 73.7 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.539 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -64.11 -31.42 72.61 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -54.07 -38.25 65.1 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 122.821 0.448 . . . . 0.0 110.644 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -61.49 -22.57 65.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.947 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.2 m -54.48 -42.93 71.29 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.134 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.84 25.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.841 0.353 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -91.76 -3.09 56.6 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.201 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 52.51 20.1 7.07 Favored Glycine 0 CA--C 1.549 2.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 112.408 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.95 88.77 4.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.859 0.361 . . . . 0.0 111.017 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -112.56 80.81 3.81 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.29 -19.94 5.23 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.748 2.298 . . . . 0.0 112.949 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.3 m-85 -80.26 77.28 7.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.995 0.426 . . . . 0.0 110.743 -176.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -78.77 146.14 33.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.746 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.2 155.33 40.79 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.056 170.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.46 8.05 8.36 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.673 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -63.63 151.53 88.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.668 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 4.9 2.08 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.824 2.349 . . . . 0.0 113.303 -173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.3 p -146.81 36.18 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.833 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.422 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 25.1 t -145.76 165.51 28.6 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.212 0.53 . . . . 0.0 111.313 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -160.29 21.22 0.15 Allowed 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.31 173.176 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 42.1 mtmt -77.58 146.9 35.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -128.46 143.55 51.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.056 0.455 . . . . 0.0 111.272 -170.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.44 160.11 31.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.649 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.58 2.19 52.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.166 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -134.3 138.67 45.14 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.166 0.508 . . . . 0.0 110.823 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 3.0 p -59.18 -44.01 92.18 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.927 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.52 -33.78 75.77 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -60.75 -41.35 95.25 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.15 -40.59 86.72 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.981 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -44.99 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 120.681 0.277 . . . . 0.0 110.268 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.79 -46.84 83.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.363 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.97 -46.14 75.05 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.118 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -57.38 -33.64 68.03 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.865 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -18.52 65.21 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.207 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 49.8 mtt -77.51 -19.16 56.27 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.492 0.187 . . . . 0.0 110.919 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.345 0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 177.231 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 C--O 1.208 -1.128 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.45 148.59 47.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.5 t -71.42 173.57 7.71 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.971 169.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -140.68 4.26 1.92 Allowed 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -69.81 135.17 87.83 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -56.09 -19.16 25.64 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.864 2.376 . . . . 0.0 113.721 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.24 58.03 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 121.38 -0.438 . . . . 0.0 112.675 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -137.49 -92.28 0.23 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.567 0.183 . . . . 0.0 110.973 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.73 39.47 20.9 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.807 0.337 . . . . 0.0 111.14 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.84 166.13 12.34 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.909 0.385 . . . . 0.0 111.238 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 130.47 46.89 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.195 0.521 . . . . 0.0 111.464 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.6 166.26 11.91 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.376 1.07 . . . . 0.0 110.598 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -120.53 -15.18 8.54 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.763 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 3.9 mmpt? -120.89 132.24 54.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.688 0.28 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.95 -50.15 74.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.807 0.337 . . . . 0.0 110.547 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 p -68.09 -36.09 79.23 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.58 -39.02 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.524 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 -35.34 78.07 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.19 171.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -42.59 98.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.21 -43.33 95.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -58.03 -43.74 86.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 110.377 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -58.99 -29.93 67.59 Favored 'General case' 0 CA--C 1.524 -0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.84 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.32 -38.43 68.7 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.577 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.48 -35.7 68.27 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -89.72 -13.74 36.21 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.49 1.575 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.241 -170.508 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.549 0.214 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.82 147.42 52.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 CA--C 1.551 0.997 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' NH2' HH21 ' A' ' 60' ' ' ARG . 70.9 mtt85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.673 0.273 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 154.14 23.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.236 0.541 . . . . 0.0 111.067 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.8 m-85 -140.21 164.79 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.658 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -105.95 -8.06 17.82 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' NH2' HE21 ' A' ' 53' ' ' GLN . 92.9 mtm-85 -141.34 156.3 45.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.105 0.479 . . . . 0.0 111.16 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -44.63 91.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.489 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -34.36 77.76 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.297 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.494 HE21 ' NH2' ' A' ' 50' ' ' ARG . 78.7 mt-30 -62.86 -50.35 71.25 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.07 -45.92 91.39 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.831 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.26 -40.19 93.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.25 0.22 . . . . 0.0 111.27 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -61.79 -44.39 96.96 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 3.1 t60 -60.74 -38.13 84.13 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -53.3 -31.67 45.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.24 0.216 . . . . 0.0 111.308 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 14.4 mmp_? -55.03 -32.93 62.24 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.406 0.146 . . . . 0.0 110.845 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.482 HH21 ' NH2' ' A' ' 46' ' ' ARG . 51.1 ttt85 -55.73 -41.61 74.14 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.428 0.291 . . . . 0.0 111.42 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.97 -45.83 13.63 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.695 0.284 . . . . 0.0 110.782 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -76.2 -9.47 58.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.631 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.62 1.42 23.15 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.724 -0.274 . . . . 0.0 112.895 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.476 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 66.1 t -71.21 108.78 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.984 0.421 . . . . 0.0 110.901 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -117.67 85.48 21.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.035 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -85.78 -20.28 3.09 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.671 2.247 . . . . 0.0 113.068 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -79.09 74.66 5.63 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.553 0.216 . . . . 0.0 110.633 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 45.1 tt0 -91.06 130.61 36.94 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.821 0.343 . . . . 0.0 111.345 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.74 124.26 21.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.317 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.84 -11.75 60.81 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.265 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -72.92 0.43 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.29 -8.51 35.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.597 -173.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 72.14 21.33 3.98 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.868 0.467 . . . . 0.0 111.127 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 106.92 1.27 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.595 171.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 1.3 ptpm? -87.88 126.27 34.95 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.11 -177.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.09 162.36 18.32 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.72 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 p -103.41 1.7 32.89 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.177 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -140.18 143.5 36.13 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 p -68.27 -33.84 75.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.043 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -66.72 -38.28 86.38 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 120.553 0.216 . . . . 0.0 111.192 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -71.31 -37.79 71.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.554 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.5 -46.47 82.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.531 0.205 . . . . 0.0 110.849 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.51 -34.33 77.98 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.683 0.278 . . . . 0.0 110.602 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.4 m -66.38 -49.58 66.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.491 175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.72 -34.12 76.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.011 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -54.27 -41.19 68.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.612 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -62.22 -24.22 67.11 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.272 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 p -68.9 -34.38 75.32 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.365 0.126 . . . . 0.0 110.932 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -83.1 -20.24 35.23 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.775 0.321 . . . . 0.0 110.671 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -91.83 -6.15 52.16 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.19 53.26 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.349 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.93 108.04 15.97 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -124.03 80.98 57.25 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.38 -22.96 3.67 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.723 2.282 . . . . 0.0 112.893 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.2 m-85 -76.19 77.23 3.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.988 0.423 . . . . 0.0 110.677 -177.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -82.91 142.46 31.42 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 21.7 t -70.45 160.42 32.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.113 0.483 . . . . 0.0 110.947 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -120.73 6.55 10.47 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.919 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -68.59 162.65 61.03 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.78 106.33 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 123.079 2.519 . . . . 0.0 113.171 -174.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.5 t 61.75 20.7 11.61 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 38.4 t -73.69 156.08 38.3 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.004 0.431 . . . . 0.0 110.745 176.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -146.92 22.61 1.23 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.839 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -77.87 132.74 38.11 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -128.42 138.0 52.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.82 162.42 25.18 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.823 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.11 1.99 39.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -135.91 135.08 39.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.066 0.46 . . . . 0.0 110.484 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.428 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 4.2 p -57.51 -43.3 84.14 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -67.32 -33.49 75.38 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.57 -41.74 95.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.11 -41.4 90.64 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.857 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.2 -42.43 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.65 -46.94 83.36 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.344 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -54.37 -48.6 71.32 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.789 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.69 -39.73 74.34 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -71.74 -15.62 62.19 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.188 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.3 mtm -106.73 3.43 26.61 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 122.232 0.213 . . . . 0.0 110.991 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.328 0 CA-C-O 120.731 0.301 . . . . 0.0 111.027 -172.268 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 120.764 0.316 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -161.31 116.35 2.08 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 66.3 -70.0 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 122.994 0.517 . . . . 0.0 110.4 -169.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.76 120.86 23.26 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 169.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -139.99 153.31 69.35 Favored Pre-proline 0 N--CA 1.475 0.807 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.497 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.86 167.65 25.8 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.752 2.301 . . . . 0.0 112.255 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -79.7 158.65 26.91 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.836 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.6 158.69 43.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.197 0.522 . . . . 0.0 112.12 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 40.7 t -119.3 165.29 14.46 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.051 168.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.28 -3.87 7.4 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 56.3 t80 -75.07 143.86 78.13 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 120.601 0.239 . . . . 0.0 110.763 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.37 149.31 23.38 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.764 2.31 . . . . 0.0 112.875 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.54 9.43 18.11 Favored Glycine 0 CA--C 1.559 2.808 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.747 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 49.0 t -88.41 171.03 10.42 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 117.466 0.633 . . . . 0.0 110.56 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 40.8 t30 -68.24 -34.85 76.98 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.378 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.5 mttp 66.41 14.53 9.75 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 122.999 0.52 . . . . 0.0 111.469 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -148.71 127.13 12.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.265 171.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.4 ' CE1' ' CD2' ' A' ' 27' ' ' HIS . 71.1 m-85 -126.89 164.55 21.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.695 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.09 -14.06 9.94 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.787 -171.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 18.8 mmtm -127.62 129.14 46.73 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.832 0.349 . . . . 0.0 110.45 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.05 -57.16 11.34 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -67.87 -35.66 78.92 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.77 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.23 -40.95 98.9 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.087 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.55 -37.87 77.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.98 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.999 -0.438 . . . . 0.0 110.353 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.0 tpt -60.08 -41.23 92.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.1 t60 -57.86 -43.24 85.82 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.272 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -59.31 -38.06 79.3 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.037 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.596 ' NH2' ' H42' ' C' ' 144' ' ' ' DC' . 0.0 OUTLIER -57.31 -38.12 73.51 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.56 177.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.17 -38.43 70.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.215 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 21.7 m-70 -80.92 -23.39 38.94 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 -172.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p -54.73 -23.38 17.45 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.49 5.71 65.02 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 121.66 -0.305 . . . . 0.0 112.802 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -127.12 2.67 6.47 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 122.323 0.249 . . . . 0.0 111.533 -173.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.84 119.63 70.68 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-O 120.555 0.217 . . . . 0.0 110.59 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -70.38 123.71 10.15 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.476 2.118 . . . . 0.0 112.897 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -123.22 168.96 11.77 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.61 172.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.65 154.92 49.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.605 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.2 t -53.96 137.37 39.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.88 12.38 37.07 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.061 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -76.49 165.65 24.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -68.56 -32.28 72.09 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -176.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -134.43 53.73 1.98 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 120.65 0.262 . . . . 0.0 111.09 -173.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.1 t -143.89 165.62 27.23 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 120.942 0.401 . . . . 0.0 110.748 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.08 23.56 0.65 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -78.98 163.1 25.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.24 155.74 38.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.126 0.489 . . . . 0.0 110.959 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.7 m-85 -138.62 164.83 28.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.074 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 p -105.26 4.63 31.27 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' HG2' ' H ' ' A' ' 52' ' ' ASP . 22.5 ttp180 -164.18 158.08 18.69 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.798 0.332 . . . . 0.0 111.059 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -39.46 83.0 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 175.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' H ' ' HG2' ' A' ' 50' ' ' ARG . 28.1 t0 -65.53 -40.57 93.08 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.88 73.05 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.727 0.299 . . . . 0.0 110.603 175.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.99 -46.45 90.68 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -58.84 -46.25 88.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.735 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.44 -46.05 84.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.619 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.69 -40.94 94.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.767 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -54.0 -38.43 65.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.092 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -55.72 -33.33 64.13 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 122.376 -0.203 . . . . 0.0 111.125 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.445 HH11 ' HG3' ' A' ' 60' ' ' ARG . 1.0 OUTLIER -68.15 -31.87 71.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.015 0.126 . . . . 0.0 111.193 179.052 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -85.3 -33.62 22.06 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.1 p -94.38 -12.85 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.579 -171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.43 13.08 73.81 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 121.575 -0.345 . . . . 0.0 112.471 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 t -67.41 105.95 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.026 0.441 . . . . 0.0 110.957 -176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.67 82.49 41.32 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.177 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -85.27 -18.88 3.92 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.636 2.224 . . . . 0.0 112.983 -172.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.89 84.6 6.35 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.628 0.251 . . . . 0.0 110.762 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -90.37 130.22 36.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.037 0.446 . . . . 0.0 110.991 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.444 ' SG ' ' HE3' ' A' ' 70' ' ' LYS . 19.4 t -64.62 124.47 21.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.867 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -57.83 -24.92 59.68 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.719 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -62.79 1.19 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.609 0.243 . . . . 0.0 110.816 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.26 -19.0 61.16 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.678 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 62.61 8.92 3.19 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.572 0.349 . . . . 0.0 111.002 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -69.25 122.43 18.82 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.494 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.86 124.5 33.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.916 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.07 162.48 16.42 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.411 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 p -101.58 -6.49 23.79 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.637 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -136.89 143.17 42.84 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 111.196 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.6 p -65.09 -39.59 93.4 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.926 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.57 -34.86 79.25 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.226 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.482 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.5 m-70 -68.1 -45.82 72.64 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.538 172.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.25 -45.23 89.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.19 -34.27 77.97 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -67.62 -49.66 61.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.97 -33.99 75.33 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 m -54.28 -40.99 68.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.705 0.402 . . . . 0.0 110.974 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -61.98 -22.72 65.9 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 m -54.5 -40.83 68.93 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.858 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -86.67 -22.91 25.83 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.616 0.246 . . . . 0.0 110.95 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.81 -6.27 51.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.529 -169.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.61 15.08 38.71 Favored Glycine 0 CA--C 1.546 2.022 0 C-N-CA 121.471 -0.395 . . . . 0.0 112.528 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.38 96.36 7.32 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -121.58 83.69 41.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.17 -19.51 4.63 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.694 2.263 . . . . 0.0 113.058 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.16 75.99 8.12 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 84.7 p -78.86 145.97 33.89 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.2 t -70.28 161.22 30.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.124 0.488 . . . . 0.0 110.935 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -125.54 7.62 7.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.908 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -65.26 153.02 90.56 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.502 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.68 4.71 2.0 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 122.781 2.321 . . . . 0.0 113.33 -171.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -148.26 30.69 0.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.081 0.152 . . . . 0.0 111.152 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.81 150.27 34.97 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.56 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -145.25 23.39 1.49 Allowed 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.946 169.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.5 mtmm -68.38 144.15 54.86 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 36.3 mttm -123.83 144.56 49.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.139 0.495 . . . . 0.0 111.548 -169.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -123.83 164.58 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.39 2.03 44.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.009 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -135.67 136.34 40.84 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.104 0.478 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.9 p -57.21 -45.31 83.94 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.716 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.15 -33.58 75.72 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.465 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.69 -40.59 92.75 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.0 tp -66.29 -43.19 87.06 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.77 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.03 -41.59 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.16 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.53 -46.88 84.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.431 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.414 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 58.9 t60 -54.51 -49.84 69.24 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 110.772 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -56.65 -37.85 71.36 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.966 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -18.79 64.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.179 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.7 mtm -106.0 0.66 25.86 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.079 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.344 0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.078 -171.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 0 C3'-C2'-C1' 98.576 -2.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.028 0 O4'-C4'-C3' 109.379 3.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C4'-C3' 108.653 3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.423 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 O4'--C4' 1.401 -4.133 0 C3'-C2'-C1' 98.158 -3.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.482 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O5'--C5' 1.409 -1.92 1 O4'-C4'-C3' 110.113 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.937 0 P-O3'-C3' 123.379 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O3'-P-O5' 100.614 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.13 0 C5'-C4'-C3' 108.97 -3.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.688 0 O4'-C4'-C3' 109.185 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.732 1 C5'-C4'-C3' 107.351 -4.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.831 2 C4'-C3'-C2' 97.777 -5.423 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.575 3.874 1 C2'-C3'-O3' 121.478 4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.069 1 P-O3'-C3' 125.011 4.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 1 O4'-C4'-C3' 109.639 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 P-O3'-C3' 124.041 3.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.072 0 P-O3'-C3' 123.948 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 109.174 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.977 1 O5'-C5'-C4' 116.516 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -1.999 0 P-O3'-C3' 123.958 3.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.596 ' H42' ' NH2' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.579 0 O4'-C4'-C3' 109.412 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.18 1 O4'-C4'-C3' 109.688 4.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.115 1 P-O3'-C3' 125.399 4.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 P-O3'-C3' 123.458 3.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.644 3.093 0 O4'-C4'-C3' 108.693 3.093 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . 0.409 ' C4 ' ' C5 ' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.547 4.444 2 C4'-C3'-C2' 98.927 -4.273 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.409 ' C5 ' ' C4 ' ' C' ' 149' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.408 -3.461 3 O5'-C5'-C4' 117.444 5.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 1 C4'-C3'-C2' 99.183 -4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.264 0 O4'-C4'-C3' 108.782 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.642 4.852 0 O4'-C4'-C3' 108.03 2.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -1.765 1 O4'-C4'-C3' 110.645 5.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 C5'-C4'-C3' 107.877 -4.549 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.48 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.688 1 O4'-C4'-C3' 110.546 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.48 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.116 0 C3'-C2'-C1' 98.792 -2.791 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 120.558 0.218 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -154.72 151.66 28.98 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.693 0.282 . . . . 0.0 110.687 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.4 -26.87 62.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.925 176.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -143.99 165.86 26.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.534 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -122.35 81.57 45.86 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.2 166.14 29.58 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.592 2.194 . . . . 0.0 112.412 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 80.9 m-85 -88.69 162.23 16.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -136.25 152.78 51.09 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.977 0.417 . . . . 0.0 110.31 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.14 159.76 25.53 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.927 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.63 61.66 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -150.62 134.69 9.27 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.248 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.76 -32.58 93.12 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.454 2.103 . . . . 0.0 112.632 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 6.64 49.82 Favored Glycine 0 CA--C 1.55 2.228 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.783 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 t -151.63 -89.2 0.06 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.864 0.332 . . . . 0.0 110.792 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.98 28.3 16.02 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 120.922 0.392 . . . . 0.0 111.01 -176.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -81.37 170.65 15.74 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 135.83 39.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.328 0.585 . . . . 0.0 111.698 -169.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -116.45 163.7 15.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.512 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.46 -8.53 13.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.629 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -132.18 149.51 52.37 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.439 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.1 tt -76.17 -48.47 20.38 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.609 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 p -68.16 -35.96 78.88 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.15 81.18 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -32.28 73.84 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.521 170.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.546 HE21 ' NH1' ' A' ' 29' ' ' ARG . 54.2 tt0 -64.82 -44.45 89.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.088 -0.382 . . . . 0.0 110.688 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -57.97 -46.27 85.41 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -58.0 -44.79 87.42 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 m -59.6 -35.44 74.33 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.168 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.546 ' NH1' HE21 ' A' ' 25' ' ' GLN . 39.2 mtt85 -61.94 -38.04 86.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -31.29 66.59 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 121.354 -0.138 . . . . 0.0 111.097 175.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -89.66 -26.81 20.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.52 -29.07 23.29 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.999 175.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.3 13.55 59.75 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 121.477 -0.392 . . . . 0.0 112.789 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -131.67 9.01 4.59 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.353 0.261 . . . . 0.0 111.078 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -65.35 120.58 68.94 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 122.273 0.229 . . . . 0.0 110.508 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.12 142.27 24.4 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.486 2.124 . . . . 0.0 113.251 -169.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -140.43 175.89 9.22 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.462 170.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.7 149.81 52.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 t -52.24 143.24 15.03 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.886 0.374 . . . . 0.0 110.824 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -104.87 19.42 20.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.947 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -76.79 169.69 17.84 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-O 120.978 0.418 . . . . 0.0 110.891 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -65.45 -40.43 93.21 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.405 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -144.79 91.96 2.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.76 0.314 . . . . 0.0 110.475 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.3 t -145.02 -71.9 0.26 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 64.81 24.46 12.81 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 122.777 0.431 . . . . 0.0 111.636 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -82.96 137.14 34.29 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 171.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.66 153.09 21.03 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 111.024 -175.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 91.8 m-85 -135.6 164.8 27.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.02 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 p -110.52 20.44 17.7 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.453 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -168.56 157.15 8.52 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.66 0.267 . . . . 0.0 111.016 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.5 p -62.35 -35.19 78.35 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.411 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.1 -42.75 88.85 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.61 -47.11 79.8 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.634 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.3 tp -60.16 -43.13 96.02 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.81 -47.07 88.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.344 0.258 . . . . 0.0 110.944 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -57.88 -47.4 82.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.692 0.282 . . . . 0.0 110.282 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.0 t60 -60.88 -37.28 81.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -177.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -53.39 -38.18 63.15 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -33.37 63.36 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.316 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -58.12 -35.35 71.35 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.238 0.215 . . . . 0.0 111.254 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.46 -37.15 12.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.618 0.247 . . . . 0.0 111.163 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.1 p -81.34 -19.28 43.15 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.337 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.74 63.85 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.489 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.31 113.05 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.881 -175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -121.52 81.3 39.28 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.306 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.67 -23.0 5.1 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.666 2.244 . . . . 0.0 112.747 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -78.92 76.28 5.41 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.653 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 pt20 -91.09 137.63 32.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.066 0.46 . . . . 0.0 111.044 -177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.489 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 t -64.59 129.43 39.8 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.468 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -66.1 -2.02 3.74 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.775 176.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -67.35 0.99 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.43 0.292 . . . . 0.0 110.762 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.2 p -108.65 3.88 23.3 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -174.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.33 15.99 9.12 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.961 0.505 . . . . 0.0 111.843 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.65 111.96 0.83 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 169.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 43.5 mttt -87.88 136.61 32.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.126 0.488 . . . . 0.0 111.063 -172.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -130.74 160.92 32.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.417 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 m -105.63 -0.22 25.83 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -133.35 135.34 44.69 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 110.707 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 p -65.76 -39.53 91.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.57 -34.83 79.16 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 1.9 m-70 -67.3 -42.65 83.38 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.617 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.81 -46.73 77.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.56 0.219 . . . . 0.0 110.986 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.54 -34.38 77.68 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.63 0.253 . . . . 0.0 110.432 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.8 m -67.01 -49.62 64.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.67 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -63.07 -32.72 74.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.17 -40.99 68.01 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -62.11 -24.62 67.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.424 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -65.71 -28.91 69.41 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.912 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.76 -24.2 17.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.959 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -91.89 -6.14 52.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.542 -170.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.33 13.95 55.64 Favored Glycine 0 CA--C 1.545 1.907 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.38 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.34 91.34 5.04 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.851 0.358 . . . . 0.0 110.795 -174.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -117.41 78.95 11.37 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.38 -24.24 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.659 2.239 . . . . 0.0 112.871 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -77.56 77.37 4.08 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.0 m -81.61 145.16 30.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 11.7 t -70.36 159.7 33.66 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.088 0.471 . . . . 0.0 110.968 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.2 14.73 7.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.9 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -65.22 160.88 54.2 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.65 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.78 -32.27 28.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 123.113 2.542 . . . . 0.0 113.55 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.4 p -147.08 82.13 1.55 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.702 0.286 . . . . 0.0 110.566 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.448 ' SG ' ' HE2' ' A' ' 104' ' ' LYS . 42.5 t -148.88 155.38 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -145.21 22.92 1.52 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.424 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mppt? -78.32 138.2 38.45 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -128.44 143.4 50.98 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -172.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.9 162.41 27.6 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.4 -0.07 38.89 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.046 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -135.32 137.75 42.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 110.489 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.1 p -57.22 -44.8 84.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.697 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -67.41 -33.56 75.43 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.707 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -60.6 -39.56 88.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.22 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.8 tp -67.65 -42.56 82.03 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.884 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 80.2 t -57.98 -41.64 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.06 -46.81 85.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -54.51 -49.5 70.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.537 0.208 . . . . 0.0 110.744 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -56.65 -39.58 73.95 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.836 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -16.62 63.8 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.178 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -109.56 2.83 20.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.993 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.067 -172.336 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.284 1 O4'-C4'-C3' 110.088 4.488 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.437 0 O4'-C4'-C3' 108.643 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.846 1 C1'-O4'-C4' 104.042 -4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C4'-C3' 109.817 4.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.204 0 C3'-C2'-C1' 97.159 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.457 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.545 2.653 0 C2'-C3'-O3' 117.468 2.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 C5'-C4'-C3' 110.192 -3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.514 0 O4'-C4'-C3' 108.042 2.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.709 0 O4'-C4'-C3' 109.58 3.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.806 0 O3'-P-O5' 97.847 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.345 1 C5'-C4'-C3' 108.295 -4.27 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.848 0 O4'-C4'-C3' 108.667 3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.556 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.011 2 O3'-P-O5' 95.877 -4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.506 0 O3'-P-O5' 97.477 -3.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 0 P-O3'-C3' 123.675 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 P-O3'-C3' 123.535 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 O4'-C4'-C3' 108.609 3.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 1 O3'-P-O5' 96.102 -4.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O3'-P-O5' 96.949 -3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.76 1 O4'-C4'-C3' 110.724 5.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 0 O4'-C4'-C3' 108.605 3.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 1 P-O3'-C3' 124.895 4.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.671 1 P-O3'-C3' 125.084 4.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C4'-C3' 108.182 2.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.309 2 C5'-C4'-C3' 108.588 -4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 0 O4'-C4'-C3' 109.12 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 P-O3'-C3' 124.019 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.403 -2.143 0 P-O3'-C3' 122.528 2.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 O4'-C4'-C3' 109.121 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.735 1 O4'-C4'-C3' 110.95 5.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 O4'-C4'-C3' 109.487 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.485 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.276 0 O4'-C4'-C3' 108.902 3.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.485 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.01 0 C3'-C2'-C1' 99.335 -2.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 CA-C-O 120.635 0.255 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -65.74 -37.06 85.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.011 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 44.83 1.18 Allowed 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -76.44 50.31 0.65 Allowed 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.327 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -161.28 154.03 17.36 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.65 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.52 173.16 14.65 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.605 2.203 . . . . 0.0 111.939 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.86 147.48 39.01 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 152.35 50.45 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 169.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -65.08 145.73 55.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.303 170.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.93 15.88 5.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.26 116.14 46.03 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.5 95.43 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.28 1.987 . . . . 0.0 111.446 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.41 -24.0 1.37 Allowed Glycine 0 CA--C 1.552 2.383 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -169.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.53 178.77 6.73 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.547 1.139 . . . . 0.0 109.437 169.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -173.06 31.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.699 0.285 . . . . 0.0 111.222 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -72.57 149.85 43.65 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.61 127.08 45.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.271 0.558 . . . . 0.0 110.953 -175.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -111.94 170.05 8.42 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.229 1.012 . . . . 0.0 110.465 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -117.52 -29.08 5.89 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.366 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 60.7 mmtt -106.74 134.03 50.51 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.706 0.289 . . . . 0.0 110.573 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.04 -51.44 67.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.601 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 p -67.96 -35.72 78.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.085 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -73.41 -29.44 62.59 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.213 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -40.04 64.73 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 169.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.85 -39.5 85.42 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.857 -0.156 . . . . 0.0 110.586 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.1 mmt -59.98 -45.95 91.04 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.522 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -58.0 -40.14 80.01 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 p -58.92 -34.09 71.32 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.235 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -55.59 -38.45 69.44 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.93 -28.16 65.97 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.328 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -89.63 -20.73 23.35 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -60.92 -23.87 65.58 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.846 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.84 10.96 58.65 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.537 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.81 -30.49 68.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.887 0.344 . . . . 0.0 111.079 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -144.32 89.68 6.89 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.486 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.67 146.25 43.04 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.474 2.116 . . . . 0.0 111.971 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -81.48 163.71 22.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -132.8 154.64 50.09 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.382 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t -63.52 162.45 12.75 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.56 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -125.07 6.4 7.91 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -64.54 150.84 45.99 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -64.48 -13.97 54.68 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.096 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.95 33.52 2.63 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.544 0.211 . . . . 0.0 111.069 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.3 t -134.85 159.13 42.37 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 0.0 111.08 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.46 29.67 0.38 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.461 174.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.38 149.41 35.2 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.256 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -117.79 152.35 35.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 63.7 m-85 -138.63 139.42 38.53 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.0 t -88.74 3.72 49.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -141.15 138.06 33.17 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 110.639 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 p -59.65 -44.63 93.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.239 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -33.91 77.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.69 -46.12 83.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.596 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.56 -46.77 88.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.763 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -57.93 -42.88 85.78 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.589 0.233 . . . . 0.0 110.776 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -61.85 -47.09 86.6 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.544 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 69.7 t60 -60.58 -47.59 85.53 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -53.32 -38.07 62.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -55.18 -33.09 62.71 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.019 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.89 -38.19 90.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.507 0.194 . . . . 0.0 111.142 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -81.29 -12.79 58.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.372 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 p -118.5 -7.9 10.56 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.68 -170.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.1 48.56 Favored Glycine 0 CA--C 1.552 2.345 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.405 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.44 125.42 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 117.145 0.473 . . . . 0.0 110.886 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.29 88.29 32.48 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.132 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.8 -13.84 6.64 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.58 2.187 . . . . 0.0 113.262 -170.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -90.42 133.85 34.74 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -124.52 138.96 54.29 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.146 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.54 148.61 50.37 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.446 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.57 -4.33 51.11 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 -71.13 0.76 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -175.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -88.38 -4.02 58.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.547 0.213 . . . . 0.0 111.117 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 61.22 26.1 16.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.323 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.48 140.81 35.73 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 120.818 0.342 . . . . 0.0 110.71 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -93.29 145.69 24.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.068 0.461 . . . . 0.0 111.316 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.97 163.46 31.46 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.1 p -96.38 -10.62 27.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.822 -174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -139.65 135.72 33.56 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 p -60.07 -34.12 73.0 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.11 -41.04 95.29 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.835 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.445 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.7 m-70 -63.77 -44.7 92.64 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.387 0.137 . . . . 0.0 110.817 171.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.07 -47.55 82.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.536 0.208 . . . . 0.0 110.779 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.82 -34.25 76.91 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -67.74 -49.52 62.1 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.69 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.69 -32.61 73.73 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.804 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -53.95 -40.88 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.447 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -61.98 -23.01 66.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -60.02 -30.39 69.13 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.02 -23.98 22.46 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.2 p -97.1 -3.71 40.71 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.99 18.66 27.36 Favored Glycine 0 CA--C 1.551 2.307 0 C-N-CA 121.682 -0.294 . . . . 0.0 112.555 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -75.08 81.54 2.26 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.969 0.414 . . . . 0.0 111.155 -172.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -109.17 83.55 2.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.62 -26.43 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.555 2.17 . . . . 0.0 113.014 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -74.73 82.23 2.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.962 0.411 . . . . 0.0 110.877 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 16.6 m -87.96 145.1 26.18 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.2 t -70.54 161.27 30.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -126.82 7.75 6.78 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.989 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.412 ' C ' ' H ' ' A' ' 101' ' ' SER . 9.6 m95 -68.89 147.36 97.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.777 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.99 26.4 0.33 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.157 2.571 . . . . 0.0 112.903 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.3 m -162.62 27.45 0.1 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.597 177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 14.8 t -137.95 177.68 7.69 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.147 0.499 . . . . 0.0 111.152 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -175.53 27.75 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.038 178.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.04 152.75 21.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -128.58 148.18 50.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.023 0.44 . . . . 0.0 111.557 -176.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.84 163.77 25.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.67 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.37 0.25 33.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -133.22 139.61 47.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.166 0.508 . . . . 0.0 110.741 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.4 t -59.83 -41.85 92.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.65 -33.75 75.58 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.511 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.7 -42.42 97.16 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.13 -42.83 96.68 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.887 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.22 -43.47 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 120.885 0.374 . . . . 0.0 110.494 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -69.42 -33.92 73.7 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -67.17 -42.28 84.53 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.484 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.59 -33.39 66.15 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -16.72 64.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.453 0.168 . . . . 0.0 111.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -80.92 -19.31 44.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.494 0.188 . . . . 0.0 110.897 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 C--N 1.346 0.419 0 CA-C-O 120.711 0.291 . . . . 0.0 110.41 177.134 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.686 0 C5'-C4'-C3' 111.393 -2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.166 0 O4'-C4'-C3' 108.31 2.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.099 0 C3'-C2'-C1' 97.639 -3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.067 0 O4'-C4'-C3' 108.106 2.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.616 0 C3'-C2'-C1' 99.402 -2.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.445 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.543 4.036 0 P-O3'-C3' 123.729 3.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.938 0 O4'-C4'-C3' 109.049 3.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 C3'-C2'-C1' 106.403 2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.113 1 P-O3'-C3' 125.222 4.602 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.833 0 P-O3'-C3' 123.693 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.364 1 O3'-P-O5' 96.228 -4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-C2' 101.093 -4.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.997 1 P-O3'-C3' 125.552 4.876 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.048 0 P-O3'-C3' 123.868 3.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 2 O4'-C4'-C3' 110.237 4.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.453 0 P-O3'-C3' 123.454 3.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 0 P-O3'-C3' 124.426 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.639 1 O4'-C4'-C3' 110.486 4.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.322 1 P-O3'-C3' 124.525 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 P-O3'-C3' 124.16 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.051 0 O3'-P-O5' 96.851 -3.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 2 P-O3'-C3' 125.856 5.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.612 0 O5'-C5'-C4' 115.792 3.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.382 -5.837 2 O4'-C4'-C3' 110.161 4.561 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 P-O3'-C3' 125.646 4.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 3.689 1 P-O3'-C3' 124.855 4.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.489 0 C5'-C4'-C3' 109.179 -3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C4'-C3' 111.323 5.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.601 0 P-O3'-C3' 124.279 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O5'-C5'-C4' 114.714 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.095 1 O3'-P-O5' 95.435 -4.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 2 O4'-C4'-C3' 110.43 4.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.477 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.759 1 O4'-C4'-C3' 109.903 4.303 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.477 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.97 0 C3'-C2'-C1' 98.541 -2.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.829 0 CA-C-O 120.564 0.221 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -77.62 5.21 9.59 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.414 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.93 174.92 13.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 0.0 110.658 -177.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -78.44 48.53 0.78 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.393 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 165.34 54.49 Favored Pre-proline 0 CA--C 1.555 1.141 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.358 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.48 155.95 33.68 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.537 2.158 . . . . 0.0 112.542 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -90.63 157.76 17.3 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.08 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptm -136.43 154.67 50.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.796 0.332 . . . . 0.0 110.378 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 53.7 t -71.2 159.16 35.15 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.912 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.91 25.24 10.07 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.939 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.46 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 69.1 t80 -103.5 133.01 20.53 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.495 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 55.7 Cg_endo -71.45 1.57 5.41 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 C-N-CA 122.807 2.338 . . . . 0.0 113.546 -173.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.48 25.9 10.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 170.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -154.39 -87.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.592 0.357 . . . . 0.0 110.885 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.9 m120 46.84 42.12 11.55 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 -172.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -85.18 178.86 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.26 130.5 56.22 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 77.2 m-85 -113.7 162.91 15.69 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.878 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -115.84 -44.72 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 43.7 mmtm -85.67 120.16 26.8 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.23 -44.16 61.63 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-O 120.72 0.295 . . . . 0.0 110.474 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 p -68.21 -41.35 81.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.5 -29.16 66.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.861 0.362 . . . . 0.0 110.139 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.21 -41.98 63.16 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 169.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -58.46 -44.41 89.23 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.322 -0.236 . . . . 0.0 110.735 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.51 85.82 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.639 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 37.7 t60 -57.85 -38.31 75.44 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -59.08 -35.23 73.04 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.529 ' NH1' ' H42' ' C' ' 144' ' ' ' DC' . 2.0 mmp_? -55.99 -38.62 70.69 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.001 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.81 -35.06 75.52 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.485 0.183 . . . . 0.0 111.015 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 26.3 m-70 -83.33 -26.41 30.59 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.218 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -53.58 -26.73 22.83 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.135 172.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.01 8.27 76.18 Favored Glycine 0 CA--C 1.541 1.686 0 C-N-CA 121.653 -0.308 . . . . 0.0 112.461 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -132.15 19.28 4.47 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.813 0.445 . . . . 0.0 110.69 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -71.43 116.54 48.4 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -67.67 111.57 2.4 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.437 2.091 . . . . 0.0 112.673 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -118.7 166.82 12.29 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.586 172.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.46 151.62 51.83 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -47.17 129.87 12.58 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 121.081 0.467 . . . . 0.0 111.316 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -72.33 -12.5 61.16 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -60.65 -24.62 65.71 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.895 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.69 -43.67 0.55 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 123.193 0.597 . . . . 0.0 111.728 172.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.62 -18.82 63.63 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.702 0.287 . . . . 0.0 110.439 170.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.74 164.91 17.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -136.48 20.92 3.14 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -86.73 132.91 33.73 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 120.894 0.378 . . . . 0.0 110.171 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -108.08 153.22 23.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.6 m-85 -132.72 164.8 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.14 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -107.88 7.78 28.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.499 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -162.71 155.16 18.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.8 p -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.22 -42.73 88.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.625 0.25 . . . . 0.0 111.05 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.77 -43.24 89.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.576 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.83 -48.26 77.49 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -63.69 -40.09 95.93 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.505 0.193 . . . . 0.0 110.927 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -57.26 -47.43 81.42 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 76.8 t60 -60.7 -37.96 83.42 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.146 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -53.34 -38.38 63.19 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.407 0.146 . . . . 0.0 111.073 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -55.52 -33.23 63.58 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 122.483 -0.136 . . . . 0.0 111.104 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -64.65 -38.77 92.13 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.106 0.162 . . . . 0.0 111.179 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -82.59 -31.32 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.558 0.218 . . . . 0.0 111.131 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -82.6 -38.6 23.39 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.23 -1.95 43.7 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 121.436 -0.412 . . . . 0.0 112.63 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.47 144.43 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 121.109 0.48 . . . . 0.0 111.272 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -133.99 83.45 46.03 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.877 175.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.57 -15.34 17.43 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.593 2.195 . . . . 0.0 113.746 -169.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -92.24 101.06 13.55 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.71 135.22 47.52 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.773 0.32 . . . . 0.0 111.029 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.63 148.15 51.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.545 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -94.33 -2.77 51.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.76 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -69.82 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.7 p -83.58 -16.12 46.55 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.838 -0.165 . . . . 0.0 111.171 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 76.51 13.62 2.39 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.981 0.513 . . . . 0.0 111.41 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -78.97 141.86 37.15 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.63 146.96 24.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 111.42 -176.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -137.31 162.16 34.29 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.863 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -102.62 -3.01 27.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.839 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -138.75 129.0 25.63 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.03 0.443 . . . . 0.0 111.556 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 p -51.19 -43.92 61.45 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -62.24 -34.82 77.24 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.434 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.8 m170 -76.8 -35.16 57.81 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.159 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.16 -44.65 75.5 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.67 -34.27 76.77 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.641 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.4 m -69.59 -49.39 54.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.623 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -62.6 -31.13 71.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -54.08 -40.68 67.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.903 0.481 . . . . 0.0 110.544 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -61.86 -22.9 65.92 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.138 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 m -57.25 -42.07 80.82 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -91.06 -18.78 24.01 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -98.6 -3.38 36.38 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.597 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.2 15.34 36.89 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.604 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.88 88.58 5.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.51 83.99 14.27 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.527 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.41 -25.7 2.48 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.55 2.167 . . . . 0.0 113.058 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -74.97 78.62 2.17 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.051 0.453 . . . . 0.0 110.851 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -80.77 146.1 31.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.8 t -70.56 161.32 30.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.114 0.483 . . . . 0.0 110.989 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -125.06 6.92 7.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.983 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -65.06 149.31 97.0 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.743 0.306 . . . . 0.0 110.459 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.52 12.58 0.51 Allowed 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 122.909 2.406 . . . . 0.0 113.316 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -150.28 24.11 0.82 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.113 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 46.8 t -138.6 151.35 47.18 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 121.139 0.495 . . . . 0.0 111.595 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -144.47 25.43 1.51 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.987 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -74.33 148.4 41.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.055 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -128.5 145.08 51.21 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.206 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.3 162.79 23.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.12 -0.72 43.84 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -135.58 141.96 45.23 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.214 0.531 . . . . 0.0 110.881 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -59.02 -45.25 91.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.885 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -67.38 -33.65 75.66 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.409 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.61 -41.1 94.09 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 tp -63.76 -43.97 94.83 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.744 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.97 -47.36 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.133 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.13 -46.5 85.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.588 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.59 -49.81 69.53 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.799 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -57.2 -37.78 72.7 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.856 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -15.74 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.039 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.6 mtt -113.42 7.73 17.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.346 0.423 0 CA-C-O 120.646 0.26 . . . . 0.0 110.972 -173.489 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.521 0 C3'-C2'-C1' 98.623 -2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-C2' 104.07 -1.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 0 O4'-C4'-C3' 109.464 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 O4'-C4'-C3' 109.135 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.084 0 C5'-C4'-C3' 110.396 -2.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.434 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O5'--C5' 1.384 -3.513 1 O4'-C4'-C3' 110.13 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.613 0 O4'-C4'-C3' 108.616 3.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.639 4.598 0 O3'-P-O5' 97.026 -3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C4'-C3' 110.822 5.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.551 -4.19 0 C3'-C2'-C1' 97.729 -3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.415 ' C2 ' ' C4 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.618 4 C5'-C4'-C3' 104.97 -6.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.415 ' C4 ' ' C2 ' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.41 -1.601 0 C4'-C3'-C2' 99.213 -3.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 1 O4'-C4'-C3' 111.049 5.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.815 1 O4'-C4'-C3' 110.565 4.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O3'-P-O5' 97.028 -3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.372 0 P-O3'-C3' 123.712 3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 0 P-O3'-C3' 124.059 3.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.017 0 O4'-C4'-C3' 108.78 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C4'-C3' 110.245 4.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . 0.43 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.393 2 P-O3'-C3' 126.179 5.399 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.529 ' H42' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.402 -3.969 2 O3'-P-O5' 95.366 -4.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.251 0 P-O3'-C3' 124.068 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.102 2 P-O3'-C3' 125.736 5.03 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 0 O4'-C4'-C3' 109.018 3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.828 0 P-O3'-C3' 123.892 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.326 1 O4'-C4'-C3' 109.658 4.058 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.885 1 O4'-C4'-C3' 110.371 4.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.541 0 O4'-C4'-C3' 108.143 2.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.728 0 O4'-C4'-C3' 109.425 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.015 0 O4'-C4'-C3' 109.381 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.396 1 O4'-C4'-C3' 109.645 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 123.614 3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.531 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C4'-C3' 109.555 3.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.531 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.793 0 C5'-C4'-O4' 103.059 -3.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.62 0.248 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -61.33 -20.61 63.16 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.339 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.38 -27.43 69.3 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.134 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -81.27 74.18 8.28 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 120.933 0.397 . . . . 0.0 110.243 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -127.75 88.27 53.82 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.987 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.83 -33.5 71.47 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 122.756 2.304 . . . . 0.0 112.243 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -138.91 147.67 42.63 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.367 170.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.43 151.03 49.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 169.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.3 t -69.55 166.56 18.68 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.522 171.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.28 14.21 0.59 Allowed 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -63.43 148.57 93.44 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 172.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -55.22 -10.23 2.91 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 122.744 2.296 . . . . 0.0 113.945 -174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.2 10.86 8.21 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 121.608 -0.329 . . . . 0.0 112.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.5 t -143.17 168.0 20.79 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.247 0.546 . . . . 0.0 111.496 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.62 24.02 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -76.26 150.41 37.01 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -170.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -98.68 127.12 44.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.222 0.534 . . . . 0.0 111.533 -172.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -109.37 170.13 8.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.357 1.063 . . . . 0.0 110.218 175.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -115.67 -8.92 12.03 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.502 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.67 143.12 50.06 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.014 0.435 . . . . 0.0 111.477 -176.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.73 -56.64 17.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.794 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -67.89 -38.42 82.99 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.899 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -70.42 -29.94 66.68 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.69 -39.1 64.64 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.026 169.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.75 -38.56 85.6 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.193 -0.317 . . . . 0.0 110.426 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.31 -44.86 95.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -57.87 -41.32 82.24 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -59.1 -34.39 71.96 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.025 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -38.44 69.71 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -36.66 69.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.639 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -80.36 -20.75 43.41 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.797 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.7 p -74.17 -32.88 63.27 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.009 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.28 -19.29 72.21 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.994 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.82 13.18 4.04 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 120.817 0.342 . . . . 0.0 110.676 172.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -147.24 69.11 11.55 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.054 169.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -85.44 179.51 3.95 Favored 'Trans proline' 0 CA--C 1.547 1.138 0 C-N-CA 123.159 2.573 . . . . 0.0 112.847 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -136.29 113.95 11.05 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.569 -176.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -88.61 136.28 33.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.864 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.5 132.91 55.39 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -86.88 -4.41 59.17 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.231 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.06 116.26 6.28 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -13.67 39.1 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.038 -169.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.26 11.12 37.22 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-O 120.534 0.207 . . . . 0.0 111.195 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -120.62 -85.01 0.66 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.635 0.374 . . . . 0.0 110.557 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 65.37 26.03 12.03 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.737 0.415 . . . . 0.0 111.598 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.37 156.97 21.59 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.829 0.347 . . . . 0.0 110.263 170.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -110.85 144.39 39.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.88 139.47 51.15 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.912 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 p -91.23 10.5 26.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.465 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -149.06 144.83 26.94 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.329 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -59.47 -44.44 93.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -34.04 74.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -72.12 -41.84 66.74 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.683 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.85 -45.38 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.54 -44.68 95.84 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.382 0.273 . . . . 0.0 111.183 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.524 ' NH1' HH11 ' A' ' 78' ' ' ARG . 39.7 ttp180 -59.08 -46.48 88.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 174.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.1 -37.49 82.93 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.32 -27.12 21.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 122.468 -0.145 . . . . 0.0 111.293 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.99 -33.06 62.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 122.466 -0.146 . . . . 0.0 110.965 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.451 ' NE ' " H3'" ' B' ' 129' ' ' ' DG' . 0.8 OUTLIER -68.0 -31.93 71.96 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 120.556 0.217 . . . . 0.0 111.051 178.418 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -87.72 -2.63 58.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.288 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 p -127.49 -2.65 6.15 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.442 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.94 57.74 Favored Glycine 0 CA--C 1.545 1.937 0 C-N-CA 121.649 -0.31 . . . . 0.0 113.449 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.84 140.9 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 117.099 0.45 . . . . 0.0 111.292 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -130.75 88.79 45.24 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.767 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.63 -19.29 14.69 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.478 2.118 . . . . 0.0 113.531 -169.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.408 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 97.9 m-85 -85.24 136.08 33.66 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -124.5 139.78 53.56 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.943 -0.117 . . . . 0.0 110.847 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.42 148.35 50.69 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.049 0.452 . . . . 0.0 110.403 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -2.76 58.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -76.48 0.57 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 -172.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.16 1.08 52.0 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 120.606 0.241 . . . . 0.0 111.411 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 59.11 22.87 11.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.48 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -72.19 134.4 45.65 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -95.18 144.91 25.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.073 0.463 . . . . 0.0 111.144 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.85 161.09 36.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.603 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 p -98.59 -9.59 24.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.72 -174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.524 HH11 ' NH1' ' A' ' 56' ' ' ARG . 37.1 mtm180 -137.6 138.56 39.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 p -57.09 -38.57 73.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.81 -42.2 88.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.493 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 5.2 m-70 -67.3 -41.4 85.44 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.836 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -63.87 -47.18 81.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.474 0.178 . . . . 0.0 110.73 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.651 0.262 . . . . 0.0 110.655 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -66.2 -49.58 66.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.532 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -61.93 -34.87 76.88 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -54.22 -41.03 68.21 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -62.01 -22.96 66.13 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.951 -0.113 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -59.24 -46.2 89.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.338 0.255 . . . . 0.0 110.834 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -80.89 -18.66 46.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.737 0.303 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 m -91.88 -6.09 52.13 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.46 24.03 50.87 Favored Glycine 0 CA--C 1.545 1.941 0 C-N-CA 121.599 -0.334 . . . . 0.0 112.357 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -91.28 115.69 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.603 0.24 . . . . 0.0 111.016 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -125.15 83.42 60.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.173 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -83.21 -17.87 6.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.624 2.216 . . . . 0.0 112.994 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.1 m-85 -85.54 77.39 9.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.799 0.333 . . . . 0.0 110.729 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.822 ' HG ' ' NH2' ' A' ' 98' ' ' ARG . 77.6 p -85.45 143.16 28.74 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.965 0.412 . . . . 0.0 110.928 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.9 t -70.08 143.19 52.51 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.822 ' NH2' ' HG ' ' A' ' 96' ' ' SER . 5.8 mmp_? -107.06 6.71 29.22 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.146 -173.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.401 ' C ' ' H ' ' A' ' 101' ' ' SER . 8.9 m95 -63.72 150.74 90.23 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 120.75 0.309 . . . . 0.0 110.65 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.43 22.91 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.311 0 C-N-CA 122.978 2.452 . . . . 0.0 113.161 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.3 m -162.47 23.01 0.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.246 0.218 . . . . 0.0 110.997 176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.6 t -146.65 158.29 43.88 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 120.988 0.423 . . . . 0.0 111.153 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -149.45 24.03 0.9 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.133 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 134.83 57.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.336 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 40.0 mttm -111.28 137.69 48.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.006 0.432 . . . . 0.0 111.465 -169.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -126.57 158.95 34.88 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.48 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.05 4.25 47.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.02 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -136.59 135.41 38.37 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.479 178.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.3 p -58.46 -41.49 85.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.599 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.35 -33.76 75.9 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.771 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -61.29 -42.93 99.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.52 -40.01 88.93 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.791 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.14 -45.83 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 174.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.88 -47.03 86.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.344 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -54.46 -49.95 68.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.771 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -57.65 -38.09 74.48 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -15.66 63.62 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.139 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.4 mtt -113.0 4.62 16.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 110.978 -173.305 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.4 0 C5'-C4'-C3' 111.552 -2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.63 0 O4'-C4'-C3' 107.554 1.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.408 0 C3'-C2'-C1' 98.124 -3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.106 0 C4'-C3'-C2' 104.972 1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.493 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.544 2.59 1 O5'-C5'-C4' 116.203 4.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.492 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C4'--C3' 1.5 -2.77 1 O3'-P-O5' 95.377 -4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 1 O4'-C4'-C3' 110.515 4.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 P-O3'-C3' 123.395 3.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.323 1 O4'-C4'-C3' 110.203 4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.278 1 O4'-C4'-C3' 110.394 4.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.074 1 C5'-C4'-C3' 108.333 -4.244 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.642 2.935 0 O3'-P-O5' 96.652 -3.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C4'-C3' 110.194 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.309 0 O3'-P-O5' 97.15 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C4'-C3' 109.581 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.522 0 O4'-C4'-C3' 109.336 3.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.795 0 O4'-C4'-C3' 108.78 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C4'-C3' 109.274 3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 1 O4'-C4'-C3' 110.983 5.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.57 1 P-O3'-C3' 125.01 4.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 O4'-C4'-C3' 108.932 3.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.246 3 P-O3'-C3' 125.555 4.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.279 2 O5'-C5'-C4' 116.952 4.823 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 P-O3'-C3' 123.909 3.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 0 C4'-C3'-C2' 100.785 -2.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 P-O3'-C3' 124.107 3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.651 3.705 1 C5'-C4'-O4' 102.724 -4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 P-O3'-C3' 123.639 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.217 0 O4'-C1'-C2' 103.008 -2.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.744 1 O3'-P-O5' 96.162 -4.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.57 1 O4'-C4'-C3' 110.476 4.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 0 O4'-C4'-C3' 109.318 3.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.496 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.125 0 O4'-C4'-C3' 108.283 2.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.496 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.05 0 C3'-C2'-C1' 99.46 -2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.493 0.187 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -76.43 -1.27 26.22 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.464 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -75.91 64.9 1.91 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.869 0.366 . . . . 0.0 110.657 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -131.36 -10.37 3.66 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.404 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -156.2 162.24 27.87 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 122.37 0.268 . . . . 0.0 110.357 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -52.86 136.69 60.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -72.15 156.26 39.37 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 ptm -136.61 156.45 48.54 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.94 0.4 . . . . 0.0 111.651 169.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.9 t -68.1 160.08 29.63 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.343 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -105.91 -23.92 12.56 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.623 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.92 129.87 85.91 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.11 56.34 4.29 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.043 2.495 . . . . 0.0 112.747 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.47 -28.63 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t -84.91 -69.68 0.63 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.523 0.329 . . . . 0.0 110.401 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.26 40.1 1.11 Allowed 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.168 0.587 . . . . 0.0 111.62 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -78.16 155.65 30.32 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -102.8 132.15 49.18 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.105 0.479 . . . . 0.0 111.288 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -118.53 169.48 9.75 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.909 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -116.95 -51.96 2.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.186 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 44.5 mttp -79.29 113.24 17.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -48.64 -47.29 40.42 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.409 -175.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -68.21 -35.66 78.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.3 -32.9 73.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 120.744 -0.383 . . . . 0.0 109.988 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.62 -44.13 64.93 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.235 171.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -58.16 -38.52 76.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -41.68 87.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.723 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -57.95 -38.76 76.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.579 0.228 . . . . 0.0 110.593 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 t -59.12 -34.65 72.29 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.136 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.656 HH22 ' N4 ' ' C' ' 144' ' ' ' DC' . 3.6 tpp180 -55.6 -38.29 69.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -39.31 73.31 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.112 0.257 . . . . 0.0 110.857 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -79.69 -32.5 41.39 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.478 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.3 p -56.95 -20.25 22.56 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.52 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.86 3.57 86.91 Favored Glycine 0 CA--C 1.549 2.164 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.472 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.2 50.01 1.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.903 0.481 . . . . 0.0 110.572 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.23 93.4 11.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.543 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 98.78 1.03 Allowed 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.717 2.278 . . . . 0.0 112.645 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -102.87 172.05 7.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.49 170.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.54 152.26 51.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.29 137.45 11.0 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.966 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.3 -2.05 58.05 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.317 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -69.71 152.98 44.02 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.103 0.478 . . . . 0.0 110.982 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -74.31 -11.9 60.39 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.683 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -138.4 38.94 2.27 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.647 0.26 . . . . 0.0 111.103 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.7 t -137.39 165.45 26.19 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 110.68 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.29 20.69 0.95 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.869 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.87 124.78 25.13 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.256 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -95.73 151.12 19.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.0 m-85 -134.59 164.76 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.961 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -109.54 5.44 23.17 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -151.28 157.21 42.25 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 172.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -59.33 -41.45 89.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.69 -36.57 80.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.342 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.92 -44.29 93.35 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.478 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.9 tp -65.83 -45.91 80.52 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.983 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.05 -39.25 89.09 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.808 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -47.37 86.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.312 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 61.2 t60 -60.78 -37.94 83.59 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.157 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -53.24 -37.92 62.51 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.932 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -55.3 -33.18 63.05 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 122.489 -0.132 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.64 -36.99 80.03 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 120.495 0.188 . . . . 0.0 111.173 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -89.1 -30.33 18.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.265 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -90.3 -19.37 24.15 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.229 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.79 2.75 88.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 121.774 -0.251 . . . . 0.0 113.016 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 m -71.62 145.52 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.084 0.469 . . . . 0.0 111.01 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -132.37 83.89 53.46 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.269 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -65.5 -20.06 60.71 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.793 2.329 . . . . 0.0 113.456 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -102.15 131.11 48.86 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-O 120.471 0.177 . . . . 0.0 110.58 -175.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -124.29 141.55 51.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.563 0.221 . . . . 0.0 110.778 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.26 148.43 50.22 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 3.11 52.67 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.865 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.35 -75.46 0.59 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.528 -173.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.92 2.99 54.42 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.394 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 63.01 19.97 11.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 122.653 0.381 . . . . 0.0 111.605 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.83 125.12 24.9 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.432 0.293 . . . . 0.0 110.688 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -87.87 148.98 24.39 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.0 0.429 . . . . 0.0 111.062 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -143.98 155.89 44.2 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.197 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -95.74 -1.61 49.51 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.535 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -135.3 135.91 41.18 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.855 0.359 . . . . 0.0 110.803 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -62.16 -42.42 99.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.81 -36.1 82.79 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.278 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 2.8 m-70 -67.25 -44.38 79.55 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 173.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 tt -64.39 -47.5 78.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.509 0.195 . . . . 0.0 110.8 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -61.03 -34.29 74.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.328 0.251 . . . . 0.0 110.574 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.2 m -69.78 -49.67 50.62 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.755 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -61.54 -33.57 74.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.764 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.12 -41.11 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.674 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -62.63 -23.13 66.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.609 -176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -62.23 -26.87 68.61 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 120.435 0.16 . . . . 0.0 110.666 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -94.76 -27.68 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.34 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.3 p -91.79 -6.24 52.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.94 9.09 45.33 Favored Glycine 0 CA--C 1.551 2.289 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.796 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.94 94.19 0.83 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -118.07 76.65 11.85 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.56 -20.34 12.31 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.543 2.162 . . . . 0.0 112.815 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.1 74.39 8.1 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.069 0.461 . . . . 0.0 110.656 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -78.99 145.92 33.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.617 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.72 120.02 16.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -88.42 6.96 34.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.429 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -63.27 144.79 97.39 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 120.658 0.266 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.72 30.12 0.35 Allowed 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 123.089 2.526 . . . . 0.0 112.681 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -163.73 22.05 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.926 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.6 t -141.15 172.33 12.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.151 0.5 . . . . 0.0 111.126 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.46 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.3 tp-100 -165.95 24.83 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -75.81 150.02 37.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -128.48 142.16 51.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.043 -172.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -129.89 159.65 35.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.812 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.98 0.95 42.09 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.085 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -133.72 140.71 47.17 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.182 0.515 . . . . 0.0 110.813 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 p -59.9 -44.5 94.22 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.047 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -67.4 -33.71 75.76 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.447 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.68 -41.85 95.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.7 tp -65.58 -41.83 92.42 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.997 175.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.03 -46.47 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-O 120.901 0.382 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.46 -46.63 88.23 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.487 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.95 -44.3 94.5 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.022 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.66 -33.4 66.34 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.784 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -16.34 63.81 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-N 116.974 -0.103 . . . . 0.0 111.183 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -81.67 -12.58 58.61 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.499 0.19 . . . . 0.0 111.028 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.343 176.874 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.629 0 O4'-C4'-C3' 108.966 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 O4'-C4'-C3' 109.148 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.551 0 C1'-O4'-C4' 105.093 -3.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.315 0 P-O3'-C3' 124.006 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.466 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C4'--C3' 1.613 8.48 2 C5'-C4'-C3' 105.105 -6.396 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.443 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.631 3.811 2 O3'-P-O5' 91.814 -6.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.786 1 P-O3'-C3' 125.839 5.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 O3'-P-O5' 98.068 -3.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.176 0 O4'-C4'-C3' 109.4 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 3 C4'-C3'-C2' 97.931 -5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.424 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.493 -2.527 4 O4'-C4'-C3' 110.461 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.424 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.554 3.615 0 O3'-P-O5' 99.52 -2.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.579 6.131 1 C5'-C4'-C3' 107.606 -4.73 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.042 1 O4'-C4'-C3' 109.927 4.327 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O3'-P-O5' 96.499 -3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 C4'-C3'-C2' 99.539 -3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 0 O4'-C4'-C3' 109.026 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.222 0 O4'-C4'-C3' 108.237 2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 1 O4'-C4'-C3' 110.001 4.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 P-O3'-C3' 124.26 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.656 ' N4 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 1 O4'--C4' 1.4 -4.193 1 P-O3'-C3' 125.078 4.481 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.658 1 P-O3'-C3' 125.173 4.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O5'-C5'-C4' 115.445 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 O4'-C4'-C3' 109.131 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 2.972 1 P-O3'-C3' 125.47 4.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.068 0 C5'-C4'-C3' 108.784 -3.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.857 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 0 C4'-C3'-C2' 100.634 -2.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.471 0 O4'-C4'-C3' 108.894 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.558 4.021 0 O4'-C1'-C2' 101.812 -3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.636 0 O3'-P-O5' 97.909 -3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.231 0 P-O3'-C3' 124.084 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.522 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.407 0 O4'-C4'-C3' 109.218 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.522 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 3.044 0 O4'-C4'-C3' 108.803 3.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.98 0 CA-C-O 120.694 0.283 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -165.16 148.17 8.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.716 0.293 . . . . 0.0 110.629 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -88.19 167.57 13.49 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -126.98 19.58 7.07 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.241 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -64.28 160.07 52.9 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.446 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.95 95.94 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.421 2.081 . . . . 0.0 112.146 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -88.8 152.22 21.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.643 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 ptm -136.57 146.12 45.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 168.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.59 157.98 25.54 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.508 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.68 16.5 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -79.4 134.61 58.23 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 120.669 0.271 . . . . 0.0 110.885 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.66 152.21 82.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.396 2.064 . . . . 0.0 111.885 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.3 -7.13 54.78 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.225 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.6 t -128.93 -87.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 122.53 0.332 . . . . 0.0 110.384 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.8 m120 51.14 26.61 2.95 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.883 0.473 . . . . 0.0 111.584 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.32 159.26 32.65 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 120.844 0.354 . . . . 0.0 111.036 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -98.74 134.64 41.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.416 -171.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -119.91 165.47 14.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.626 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -132.64 5.79 4.01 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.853 -174.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -143.74 98.84 3.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.272 0.229 . . . . 0.0 110.604 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.11 -42.22 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.656 -170.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.65 77.37 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 120.97 0.414 . . . . 0.0 112.082 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -45.18 92.24 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -34.19 75.9 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.47 171.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.26 -47.2 84.36 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.096 -0.377 . . . . 0.0 110.261 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.48 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -57.98 -41.07 82.18 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 120.705 0.288 . . . . 0.0 110.674 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 p -59.18 -35.13 73.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.591 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 ttm105 -55.94 -38.55 70.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -56.57 -36.15 68.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.048 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -89.67 -28.72 19.27 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 119.469 -0.3 . . . . 0.0 111.752 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -44.46 -29.47 0.71 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.3 33.71 1.54 Allowed Glycine 0 CA--C 1.554 2.515 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.712 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -109.82 -32.79 6.94 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.846 0.323 . . . . 0.0 111.78 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -42.6 108.32 0.62 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 122.679 0.392 . . . . 0.0 111.67 -169.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.3 85.17 1.87 Allowed 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 122.776 2.317 . . . . 0.0 112.835 -174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -73.38 171.5 12.97 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.006 169.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -129.13 157.89 40.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.23 130.93 40.42 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.184 0.516 . . . . 0.0 111.12 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.46 -4.69 46.77 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.361 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.32 -19.59 62.29 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.041 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 72.65 -44.7 0.6 Allowed 'General case' 0 N--CA 1.503 2.187 0 C-N-CA 123.427 0.691 . . . . 0.0 111.701 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -75.85 -20.34 58.19 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.592 0.234 . . . . 0.0 110.85 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -79.79 167.55 20.45 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.91 29.43 3.14 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -177.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -94.82 165.47 12.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.707 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.32 151.33 43.5 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.615 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -136.98 139.4 41.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 -175.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -84.0 1.69 42.52 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.714 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -146.3 147.03 30.95 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.972 0.415 . . . . 0.0 111.005 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 t -59.36 -41.83 90.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.3 -37.21 86.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.335 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.483 HE22 ' NH1' ' A' ' 56' ' ' ARG . 46.9 tp60 -69.14 -37.46 78.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 120.633 0.254 . . . . 0.0 110.599 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.22 -40.87 86.44 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 173.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -64.55 -36.4 84.09 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.471 0.177 . . . . 0.0 110.778 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' NH1' HE22 ' A' ' 53' ' ' GLN . 22.6 ttm180 -62.31 -47.72 83.04 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 171.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.2 t60 -60.76 -38.39 85.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.302 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -53.3 -38.46 63.17 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.147 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -33.3 71.96 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 122.456 -0.152 . . . . 0.0 110.929 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.17 -31.65 65.62 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.468 0.175 . . . . 0.0 111.043 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -102.6 -2.7 27.9 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -132.08 -9.69 3.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.69 -107.32 2.14 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.5 t 65.81 -68.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 123.348 0.659 . . . . 0.0 111.696 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 45.67 72.92 1.08 Allowed Pre-proline 0 N--CA 1.488 1.455 0 C-N-CA 122.891 0.476 . . . . 0.0 110.682 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.82 -17.78 32.5 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.853 2.368 . . . . 0.0 113.692 -169.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -83.53 124.28 30.59 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -124.29 134.16 53.28 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 122.326 -0.234 . . . . 0.0 110.487 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.76 124.45 21.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.08 0.467 . . . . 0.0 110.576 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -5.05 43.02 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.533 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -48.05 7.23 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.487 0.184 . . . . 0.0 110.588 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 11.4 p -115.51 -79.46 0.59 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' A' ' 74' ' ' ARG . 0.0 OUTLIER 167.12 4.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.797 1.239 . . . . 0.0 110.109 -178.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.42 ' H ' ' H ' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -56.75 110.27 0.77 Allowed 'General case' 0 C--N 1.349 0.579 0 C-N-CA 122.818 0.447 . . . . 0.0 110.666 -175.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -87.72 139.09 30.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.162 0.506 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -132.93 158.81 41.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.318 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 t -95.28 -4.32 45.85 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.422 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -138.09 141.12 40.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 p -62.35 -40.06 95.16 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -60.93 -37.49 82.51 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.304 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.5 m-70 -69.34 -44.46 71.57 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 120.436 0.16 . . . . 0.0 110.644 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 tt -64.77 -44.83 88.77 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.424 0.154 . . . . 0.0 110.942 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -65.92 -34.43 78.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.564 0.221 . . . . 0.0 110.569 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 m -63.6 -49.36 73.66 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.484 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -62.12 -36.01 80.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.3 m -57.99 -41.7 83.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.501 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -67.6 -23.81 65.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 122.429 -0.169 . . . . 0.0 110.828 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 99.8 m -71.89 -30.49 65.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.793 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -84.4 -24.6 29.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.656 0.265 . . . . 0.0 110.566 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -91.72 -6.1 52.53 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.65 17.39 53.83 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.172 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -79.06 93.02 5.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.597 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -118.06 79.73 14.43 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.641 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.0 -19.15 8.46 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.746 2.297 . . . . 0.0 113.181 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -78.53 77.8 5.01 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 0.0 110.729 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -78.79 145.87 34.1 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.28 161.1 31.0 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.551 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -117.37 -3.47 11.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.994 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -69.3 127.02 93.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.48 -14.2 36.59 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.563 2.175 . . . . 0.0 113.018 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -101.75 18.66 19.88 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.355 0.262 . . . . 0.0 111.151 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.33 -86.42 0.2 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.276 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 61.74 39.14 14.47 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.794 0.438 . . . . 0.0 111.379 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 160.58 29.82 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 170.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -124.31 140.37 53.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -128.89 161.02 30.82 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.672 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.44 0.61 40.06 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.055 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -135.86 139.18 43.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.151 0.5 . . . . 0.0 110.897 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.8 t -59.36 -42.89 92.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.987 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -67.39 -33.8 75.94 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.66 -43.28 97.83 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.73 -42.62 97.86 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.858 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.17 -47.58 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 120.681 0.277 . . . . 0.0 110.401 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -62.37 -46.89 86.59 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.259 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -55.37 -45.3 76.56 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.132 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -59.09 -33.57 70.98 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.546 0.212 . . . . 0.0 111.019 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.57 -15.66 62.28 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 122.413 -0.179 . . . . 0.0 111.107 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 46.1 mtt -80.22 -7.8 59.15 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.369 0.128 . . . . 0.0 111.089 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.349 0.55 0 CA-C-O 120.775 0.321 . . . . 0.0 110.464 176.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.112 0 C3'-C2'-C1' 99.343 -2.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.641 2.82 0 P-O3'-C3' 122.58 2.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 2 C3'-C2'-C1' 96.119 -4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.484 0 P-O3'-C3' 124.0 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.44 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 O4'-C4'-C3' 108.114 2.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.469 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.54 3.668 0 O3'-P-O5' 98.338 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.07 1 O4'-C4'-C3' 110.429 4.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 C5'-C4'-C3' 109.742 -3.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.357 1 O4'-C4'-C3' 109.614 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 3 C4'-C3'-C2' 96.426 -6.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.495 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 4 P--O5' 1.659 6.614 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.495 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 P--O5' 1.565 -2.798 3 C4'-C3'-C2' 97.368 -5.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.143 1 O4'-C4'-C3' 109.979 4.379 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.65 5.654 2 O4'-C4'-C3' 110.95 5.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.399 1 O3'-P-O5' 94.31 -5.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 P-O3'-C3' 124.243 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 P-O3'-C3' 123.971 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.348 0 O4'-C4'-C3' 107.553 1.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.425 2 O5'-C5'-C4' 116.448 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . 0.416 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.324 1 P-O3'-C3' 125.019 4.432 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.416 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 1 P--O5' 1.644 5.144 0 C4'-C3'-O3' 102.12 -3.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.531 0 P-O3'-C3' 123.709 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . 0.451 ' H1 ' ' H41' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.404 -3.833 2 O5'-C5'-C4' 116.792 4.709 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.681 0 O4'-C4'-C3' 109.141 3.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.308 0 P-O3'-C3' 123.693 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.367 0 C5'-C4'-C3' 109.192 -3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.405 -2.013 1 O4'-C4'-C3' 109.774 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.579 2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.087 0 P-O3'-C3' 123.478 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 108.8 3.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C4'-C3' 110.677 5.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.864 0 O4'-C4'-C3' 108.884 3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.505 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.505 0 C5'-C4'-C3' 109.011 -3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.505 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.845 0 O4'-C4'-C3' 109.285 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 120.67 0.271 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -166.55 168.42 14.65 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -138.89 163.96 30.93 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.657 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.41 65.49 2.97 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 121.012 0.434 . . . . 0.0 110.567 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -126.74 87.03 57.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.594 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.66 177.73 7.65 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.723 2.282 . . . . 0.0 112.235 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.95 150.43 20.17 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.914 172.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.9 mtp -136.45 150.3 48.66 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 121.997 -0.439 . . . . 0.0 110.011 168.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -71.05 158.36 36.63 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 -28.24 11.35 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.21 138.77 73.56 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.119 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.19 151.82 83.78 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.475 2.117 . . . . 0.0 112.19 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.91 -26.65 2.04 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -96.48 -88.53 0.28 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.426 0.291 . . . . 0.0 110.471 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m120 46.42 38.66 5.58 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -86.72 164.07 16.96 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.55 148.27 26.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.27 0.557 . . . . 0.0 111.646 -172.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -135.41 160.47 38.36 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.579 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.57 -50.72 2.61 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -77.17 123.89 27.05 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.635 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.48 -47.0 66.8 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.438 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 p -68.07 -36.07 79.23 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -34.93 69.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.08 -32.28 71.62 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.998 169.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.57 -40.94 93.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 122.272 -0.267 . . . . 0.0 110.645 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -42.58 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 172.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.94 -45.03 87.22 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -59.18 -35.0 72.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.09 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -55.71 -38.17 69.37 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.543 0.211 . . . . 0.0 110.697 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.23 -38.77 71.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -87.21 -33.97 19.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.551 0.215 . . . . 0.0 110.877 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -49.06 -32.2 9.13 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.926 171.07 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.13 -38.74 29.08 Favored Glycine 0 CA--C 1.544 1.852 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.65 69.81 3.94 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.695 0.284 . . . . 0.0 111.382 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HZ1' ' CA ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -80.37 117.56 68.26 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.276 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.84 148.55 28.5 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.499 2.133 . . . . 0.0 112.907 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -148.54 178.8 8.31 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.759 176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.59 155.72 48.18 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.971 169.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 t -49.1 132.68 19.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.5 3.86 54.89 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -65.45 154.52 38.27 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.756 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp -70.88 -12.26 61.44 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.866 -172.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -142.81 43.09 1.59 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.618 0.247 . . . . 0.0 111.229 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -145.44 166.44 25.64 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.17 0.51 . . . . 0.0 110.919 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.36 22.11 0.63 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.618 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -65.72 128.43 35.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.03 148.94 23.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -174.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -133.66 161.66 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.571 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 p -108.12 7.26 27.51 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -158.23 156.83 31.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.237 0.541 . . . . 0.0 111.669 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -58.67 -44.48 90.22 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.022 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.85 -34.15 76.14 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.251 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.88 -46.23 88.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.683 0.278 . . . . 0.0 110.462 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.19 -45.58 84.23 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.08 -37.97 89.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.53 0.205 . . . . 0.0 110.853 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -61.2 -45.78 93.18 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.298 172.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.429 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 64.5 t60 -60.66 -39.56 88.83 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.875 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.32 -37.84 62.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.125 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -55.17 -33.35 62.91 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 122.291 -0.255 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -66.69 -38.42 86.75 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.11 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -82.26 -31.31 30.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.591 0.234 . . . . 0.0 111.083 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -79.01 -49.74 12.21 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.772 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.22 -3.39 25.3 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -72.74 138.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.074 0.464 . . . . 0.0 111.424 -173.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -138.78 80.85 24.14 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.301 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.48 -19.82 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 122.654 2.236 . . . . 0.0 113.279 -171.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -83.84 92.76 7.84 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.345 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -98.91 135.46 40.3 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.62 148.15 51.49 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.464 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -98.47 8.15 45.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.56 -59.8 1.97 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 29.5 p -99.56 -22.15 15.59 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.281 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 91.26 6.18 0.08 Allowed 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.801 0.841 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -61.68 128.09 34.58 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.739 0.304 . . . . 0.0 110.62 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.57 138.4 36.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.944 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -130.28 163.12 27.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -105.63 3.12 28.82 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.21 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.49 122.04 17.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 -175.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.2 p -51.92 -42.08 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.915 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.37 -34.88 74.51 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.393 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.451 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.0 m-70 -73.42 -39.63 64.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.807 175.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.9 tt -68.11 -42.72 79.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.425 0.155 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.38 -39.8 95.49 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.695 0.283 . . . . 0.0 110.416 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 m -62.93 -49.5 74.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.559 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -62.46 -34.87 77.67 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.074 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -54.31 -41.35 68.86 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.676 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -65.06 -22.82 67.03 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.376 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.1 p -68.29 -30.16 69.1 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.908 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -93.66 -20.54 20.08 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.814 0.34 . . . . 0.0 110.747 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 m -97.56 4.85 50.19 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.8 26.46 5.64 Favored Glycine 0 CA--C 1.547 2.043 0 C-N-CA 121.437 -0.411 . . . . 0.0 112.613 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.26 92.21 9.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.892 0.377 . . . . 0.0 110.916 -169.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -113.66 87.43 12.01 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -87.17 -21.98 1.85 Allowed 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 122.65 2.233 . . . . 0.0 112.985 -176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.7 m-85 -79.6 79.37 6.08 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -175.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 t -81.75 143.01 32.12 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.6 t -70.48 161.21 30.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.3 0.571 . . . . 0.0 111.149 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -131.89 14.5 4.8 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.754 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.74 163.76 52.2 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -48.34 107.23 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.006 2.471 . . . . 0.0 112.944 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t 65.66 16.84 10.68 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.158 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.6 t -88.75 164.56 15.21 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.174 0.511 . . . . 0.0 110.933 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 5.0 tp-100 -165.43 29.28 0.06 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.425 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -71.16 128.2 35.11 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.146 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -105.5 142.26 35.56 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -171.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.05 159.37 34.37 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.653 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.66 4.03 42.92 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -138.73 136.21 35.53 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 110.406 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.414 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.4 p -58.22 -42.99 87.47 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.8 -177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -67.21 -33.52 75.54 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.676 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -60.53 -41.24 94.05 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.07 -45.4 92.34 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.599 173.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.91 -43.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.406 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.22 -46.54 88.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -54.44 -49.72 69.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.664 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -56.73 -39.1 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.777 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -17.31 63.29 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 120.569 0.223 . . . . 0.0 111.115 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.7 mtp -108.07 6.16 26.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 122.478 0.311 . . . . 0.0 110.935 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 120.733 0.302 . . . . 0.0 111.047 -172.741 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.013 0 C3'-C2'-C1' 98.828 -2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 1 O4'-C4'-C3' 110.038 4.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.036 0 C3'-C2'-C1' 97.959 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 C4'-C3'-C2' 105.206 2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.438 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.545 2.731 0 O4'-C1'-C2' 102.571 -3.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.451 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.849 0 C2'-C3'-O3' 118.937 3.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.357 1 P-O3'-C3' 124.841 4.284 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.661 0 O3'-P-O5' 98.436 -2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O3'-P-O5' 97.726 -3.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.376 -3.386 2 C4'-C3'-C2' 98.452 -4.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.394 -4.762 2 C5'-C4'-C3' 104.291 -6.939 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.413 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 P--O3' 1.655 4.022 0 O4'-C1'-C2' 101.945 -3.778 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . 0.413 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 0 P--O5' 1.624 3.069 0 O4'-C1'-C2' 110.029 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 P-O3'-C3' 123.624 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 2 O4'-C4'-C3' 111.112 5.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.914 0 O3'-P-O5' 96.405 -3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.638 2.598 1 P-O3'-C3' 125.673 4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C4'-C3' 109.341 3.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.285 0 P-O3'-C3' 124.176 3.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . 0.404 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.561 3.297 1 P-O3'-C3' 125.028 4.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . 0.404 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.688 1 P-O3'-C3' 126.009 5.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.803 0 O4'-C4'-C3' 108.776 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.36 2 P-O3'-C3' 125.598 4.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C4'-C3' 108.652 3.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.586 0 P-O3'-C3' 123.824 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C4'-C3' 109.144 3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . 0.402 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.628 3.506 1 O4'-C4'-C3' 111.901 6.301 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . 0.402 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 P--O5' 1.636 4.316 1 O4'-C4'-C3' 109.713 4.113 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.641 1 P-O3'-C3' 125.08 4.483 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.377 2 O4'-C1'-C2' 100.976 -4.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O3'-P-O5' 97.085 -3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.726 1 O4'-C4'-C3' 112.085 6.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.49 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O3' 1.627 1.641 0 O4'-C4'-C3' 108.936 3.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.49 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.09 0 C3'-C2'-C1' 99.266 -2.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -18.39 64.88 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.092 176.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -81.06 -3.64 52.58 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.641 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -68.41 -8.79 43.65 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.62 85.19 7.31 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.862 0.363 . . . . 0.0 110.499 170.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.92 -54.16 3.04 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.687 2.258 . . . . 0.0 112.436 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -118.95 152.33 36.54 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -136.63 154.15 50.73 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.753 0.311 . . . . 0.0 110.438 168.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 43.7 t -71.02 166.52 21.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.073 169.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -117.92 -15.71 9.96 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.143 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -65.19 128.74 94.06 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.545 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.23 -38.25 51.0 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.942 2.428 . . . . 0.0 113.188 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.47 9.48 49.32 Favored Glycine 0 CA--C 1.548 2.113 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.906 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.01 -86.53 0.21 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.691 0.246 . . . . 0.0 110.845 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.94 21.5 10.53 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.654 0.382 . . . . 0.0 111.154 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -78.95 162.96 25.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -173.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -98.83 131.04 45.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.34 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.65 159.77 21.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.547 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -118.91 -10.43 9.89 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.771 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 77.9 mttt -124.97 134.27 52.68 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.64 -50.44 73.48 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 p -67.94 -35.81 79.05 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.33 -40.61 81.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.63 -39.01 80.94 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.427 171.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -45.32 88.07 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.266 -0.271 . . . . 0.0 110.41 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.33 -41.13 96.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -57.97 -38.86 76.82 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.596 0.236 . . . . 0.0 110.473 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -59.2 -35.21 73.2 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -56.02 -38.36 70.42 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.874 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -38.97 77.21 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.989 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -80.0 -26.91 39.68 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.284 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 p -56.33 -32.79 65.01 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.396 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 6.37 70.13 Favored Glycine 0 CA--C 1.541 1.707 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.495 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -127.17 11.89 7.05 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.78 0.432 . . . . 0.0 110.848 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 115.41 13.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 122.508 0.323 . . . . 0.0 110.783 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.61 95.5 1.05 Allowed 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 122.577 2.185 . . . . 0.0 112.608 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -93.67 164.37 13.18 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 169.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.63 156.22 47.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.148 169.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.44 150.27 15.37 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -102.68 -0.93 31.01 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.742 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 97.4 m-85 -75.36 155.47 36.45 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 111.231 -176.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -72.14 0.17 10.36 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.2 171.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -140.07 16.12 2.45 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.433 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 t -135.27 154.52 51.53 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 111.028 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -146.54 22.28 1.31 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.521 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -73.81 132.86 43.01 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.236 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -94.24 151.61 19.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.1 m-85 -135.55 162.51 32.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.17 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -103.2 0.44 31.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.643 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -155.61 160.55 40.53 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.886 0.374 . . . . 0.0 110.97 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -44.56 96.28 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.45 -33.95 77.07 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' CD ' ' H42' ' B' ' 132' ' ' ' DC' . 55.0 mm-40 -70.49 -40.96 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.703 0.287 . . . . 0.0 110.769 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.26 -41.1 94.61 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 172.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.61 -36.87 85.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.543 0.211 . . . . 0.0 111.067 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.63 -47.44 85.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.5 t60 -60.9 -37.4 82.11 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.256 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -53.35 -38.07 62.96 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.866 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -55.35 -33.23 63.21 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.364 0.126 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.11 -33.57 76.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.176 0.191 . . . . 0.0 111.197 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 46.9 m-70 -83.15 -38.44 22.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.732 0.301 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -86.77 -19.52 28.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.467 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.81 2.4 70.37 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 121.576 -0.345 . . . . 0.0 112.467 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.19 108.34 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.915 0.388 . . . . 0.0 110.795 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -112.72 90.38 15.01 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.85 -20.57 5.33 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.533 2.155 . . . . 0.0 113.367 -169.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -81.37 80.25 7.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.73 133.94 34.79 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.039 0.447 . . . . 0.0 111.25 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.69 124.62 22.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.261 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -10.05 6.16 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.79 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -64.83 1.1 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.19 0.196 . . . . 0.0 110.975 -173.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -106.01 2.66 27.54 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.456 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 64.56 16.62 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.85 0.46 . . . . 0.0 111.816 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -65.65 121.94 16.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.67 0.271 . . . . 0.0 110.531 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.87 123.82 33.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.946 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -114.1 162.47 16.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.448 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 p -99.42 -10.21 22.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -135.15 147.27 49.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -68.67 -39.19 80.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -63.17 -34.97 78.78 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.433 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.5 m170 -76.1 -38.43 56.95 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.849 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.13 -41.76 90.04 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.539 0.209 . . . . 0.0 110.752 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -65.86 -36.27 82.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.747 0.308 . . . . 0.0 110.603 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -66.61 -49.27 66.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.632 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -61.96 -34.92 77.01 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -57.38 -41.48 80.29 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.604 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -65.8 -23.44 66.7 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.466 -0.146 . . . . 0.0 110.865 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -71.6 -27.7 63.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.911 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -91.4 -18.63 23.94 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.652 0.263 . . . . 0.0 110.843 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -98.49 -6.45 30.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.16 13.26 53.0 Favored Glycine 0 CA--C 1.547 2.078 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.442 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.96 96.98 5.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -122.95 84.76 50.5 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.396 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -85.57 -19.45 3.5 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.721 2.281 . . . . 0.0 113.155 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -81.8 80.37 8.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 89.0 p -82.94 143.43 30.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.353 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.2 t -70.35 160.48 32.2 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.487 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 -134.8 13.35 3.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.552 -174.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.425 ' C ' ' H ' ' A' ' 101' ' ' SER . 6.7 m95 -63.37 155.43 74.78 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 19.37 0.22 Allowed 'Trans proline' 0 CA--C 1.554 1.483 0 C-N-CA 122.926 2.418 . . . . 0.0 113.332 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 99' ' ' TRP . 56.2 m -163.33 26.34 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 122.214 0.206 . . . . 0.0 110.939 175.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -147.97 160.59 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.174 0.512 . . . . 0.0 111.544 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -155.23 25.54 0.42 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.069 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -63.65 138.88 58.68 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.487 -175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 79.5 mttt -109.64 143.23 39.66 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.988 0.423 . . . . 0.0 111.438 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.79 162.63 25.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.385 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.5 3.9 43.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -136.71 136.76 39.29 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 110.617 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.7 p -58.0 -45.27 87.08 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.749 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.16 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.441 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.6 -41.63 95.13 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.98 -44.49 89.15 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.86 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.03 -43.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.156 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -62.42 -46.87 86.61 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.384 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -55.03 -49.84 70.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.79 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -56.83 -39.27 73.91 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.015 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -72.77 -15.67 61.65 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.567 0.222 . . . . 0.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtt -105.31 3.86 30.34 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.945 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.345 0.403 0 CA-C-O 120.673 0.273 . . . . 0.0 110.947 -172.56 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.307 0 C3'-C2'-C1' 98.633 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.649 3.489 0 O4'-C4'-C3' 108.384 2.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 P-O3'-C3' 123.108 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 P-O3'-C3' 122.685 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.135 2 C3'-C2'-C1' 94.226 -6.053 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.433 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C5'-C4'-O4' 113.325 2.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.07 1 P-O3'-C3' 125.223 4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.807 2 C4'-C3'-C2' 98.002 -5.198 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . 0.422 ' H42' ' CD ' ' A' ' 53' ' ' GLN . . . . . . . . 1 O4'--C4' 1.397 -4.419 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.763 0 O5'-C5'-C4' 114.088 2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.267 1 P-O3'-C3' 125.456 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.586 9.379 0 C5'-C4'-C3' 108.912 -3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.649 5.633 0 O5'-C5'-C4' 104.699 -3.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.463 1 O3'-P-O5' 93.664 -5.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.049 1 P-O3'-C3' 124.588 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.628 2 O4'-C4'-C3' 110.367 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 0 P-O3'-C3' 123.828 3.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.085 0 O4'-C4'-C3' 109.223 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.162 1 O5'-C5'-C4' 115.829 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.962 2 O3'-P-O5' 95.618 -4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.352 1 P-O3'-C3' 124.848 4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 0 O4'-C4'-C3' 109.293 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.373 -3.631 0 P-O3'-C3' 124.231 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 2 O4'-C4'-C3' 109.851 4.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.658 1 O4'-C4'-C3' 109.632 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 2 O4'-C4'-C3' 110.257 4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.387 -3.316 4 C4'-C3'-C2' 98.334 -4.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.658 0 P-O3'-C3' 123.859 3.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.788 0 P-O3'-C3' 121.933 1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.696 0 O4'-C4'-C3' 108.486 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.132 0 O4'-C4'-C3' 108.996 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.393 -2.952 0 P-O3'-C3' 123.382 3.069 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.464 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O5' 1.619 2.647 2 O4'-C4'-C3' 110.372 4.772 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.464 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.627 0 C3'-C2'-C1' 98.486 -3.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 120.608 0.242 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -62.83 -17.93 62.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.089 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -58.5 -21.74 52.92 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.151 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.12 -20.81 66.64 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.232 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -106.09 107.88 60.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.463 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.32 86.87 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.476 2.117 . . . . 0.0 111.73 174.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.412 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 65.4 m-85 -73.5 70.88 1.3 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.058 -176.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.509 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -80.52 142.93 33.7 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 118.67 -1.212 . . . . 0.0 111.96 -173.403 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 52.8 t -64.11 167.74 6.15 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.526 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.41 -8.14 10.09 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.17 140.39 90.68 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.775 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.71 149.28 90.62 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.426 2.084 . . . . 0.0 112.028 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.9 -31.24 2.27 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.332 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -96.53 -94.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 122.356 0.262 . . . . 0.0 110.685 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 57.22 18.64 4.34 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 122.969 0.507 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.16 152.57 42.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.15 0.18 . . . . 0.0 110.587 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.509 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 36.4 mtm180 -98.57 127.04 44.35 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 -171.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -104.3 170.06 8.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.761 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -120.46 -5.41 9.82 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.294 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -138.02 147.53 44.25 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.032 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.4 tt -75.06 -48.49 23.69 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.682 -175.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 p -68.05 -36.01 79.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.049 0.452 . . . . 0.0 111.805 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -43.64 87.53 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.55 -32.31 73.73 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.641 170.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.7 -38.66 91.94 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.003 -0.435 . . . . 0.0 110.645 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.63 -42.2 95.64 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.14 -39.94 80.05 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.834 0.349 . . . . 0.0 110.427 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 m -59.31 -26.78 65.28 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.055 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.44 68.8 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.341 0.115 . . . . 0.0 110.747 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -56.41 -40.71 75.13 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.682 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.63 -4.72 57.67 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.63 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.86 -19.97 31.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.346 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 9.38 55.31 Favored Glycine 0 CA--C 1.542 1.723 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.14 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.58 60.28 0.68 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.042 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -111.73 108.86 55.79 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.057 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.02 91.61 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.508 2.139 . . . . 0.0 112.678 -172.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -88.26 169.0 12.24 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 172.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -132.68 154.51 50.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 19.6 t -68.71 135.07 50.74 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.921 0.391 . . . . 0.0 110.801 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.12 -7.1 47.14 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.81 -19.76 65.81 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.645 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 68.19 -67.87 0.18 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.493 0.717 . . . . 0.0 111.682 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -69.48 -15.95 63.36 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.513 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -71.12 -32.03 68.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 173.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.61 37.0 27.35 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.0 111.493 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -95.07 149.9 20.77 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.245 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -130.0 155.23 46.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.353 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 72.4 m-85 -136.3 164.84 27.16 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -173.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -103.14 -7.84 20.96 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.489 -175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm-85 -148.82 157.56 43.53 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -43.41 97.57 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.13 -35.22 79.91 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.363 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.498 HE22 ' NH1' ' A' ' 56' ' ' ARG . 45.4 tp60 -69.16 -41.0 77.83 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.759 0.314 . . . . 0.0 110.525 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.9 tp -63.56 -44.29 94.56 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.661 173.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -60.66 -43.04 98.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.791 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' NH1' HE22 ' A' ' 53' ' ' GLN . 19.6 ttm180 -58.25 -47.43 83.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.628 0.252 . . . . 0.0 110.395 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.71 -41.67 95.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.775 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -53.48 -38.22 63.44 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.27 63.26 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 122.218 -0.301 . . . . 0.0 110.933 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.14 -36.2 76.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.191 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -85.81 -31.75 22.14 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.564 0.221 . . . . 0.0 111.235 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -97.23 -11.88 23.65 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.91 8.06 57.04 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 121.621 -0.323 . . . . 0.0 112.705 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.41 136.54 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.055 0.455 . . . . 0.0 110.961 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -132.59 90.76 32.23 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.12 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 94.9 Cg_endo -85.53 -12.89 6.3 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.593 2.195 . . . . 0.0 112.883 -173.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -95.25 123.89 39.0 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.06 140.0 53.39 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.603 0.239 . . . . 0.0 110.798 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.68 148.22 51.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.052 0.453 . . . . 0.0 110.609 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 10.51 37.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.195 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -58.84 1.26 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.839 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.8 p -105.37 0.48 26.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.154 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.07 22.47 11.68 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.734 0.414 . . . . 0.0 111.774 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -75.83 133.83 40.53 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.725 0.298 . . . . 0.0 110.543 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -96.62 147.81 23.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.188 0.518 . . . . 0.0 111.479 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -142.54 161.83 37.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 52.3 m -97.22 -2.04 43.65 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.558 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -137.08 134.71 36.78 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -63.65 -42.77 98.07 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.817 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.45 -42.17 91.37 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -62.79 -44.77 95.3 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.426 -0.171 . . . . 0.0 110.881 173.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.27 -45.53 91.06 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.48 0.181 . . . . 0.0 110.844 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.51 -35.71 80.24 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.712 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.2 m -67.57 -49.76 61.67 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.437 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.68 -33.09 73.38 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.008 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -53.94 -40.43 66.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.815 0.446 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -22.63 65.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.657 -175.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 m -54.34 -38.66 66.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.557 0.343 . . . . 0.0 111.213 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -78.23 -22.31 48.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.743 0.306 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -91.71 -6.23 52.34 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 21.23 36.42 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 121.567 -0.349 . . . . 0.0 112.59 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 149.67 43.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -172.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -155.16 78.52 4.73 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.202 171.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.56 -20.26 10.91 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.512 2.141 . . . . 0.0 113.123 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.8 m-85 -83.38 75.97 9.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -175.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 37.7 t -78.9 144.71 34.63 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 175.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.05 151.87 45.02 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -118.39 7.04 11.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.964 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.418 ' C ' ' H ' ' A' ' 101' ' ' SER . 11.4 m95 -65.5 150.05 96.44 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 120.667 0.27 . . . . 0.0 110.615 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.86 24.85 0.29 Allowed 'Trans proline' 0 CA--C 1.552 1.407 0 C-N-CA 122.893 2.395 . . . . 0.0 113.002 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.5 m -163.41 21.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.909 177.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 20.1 t -148.44 173.81 12.71 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.2 13.78 0.05 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.662 175.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 130.82 38.87 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 120.808 0.337 . . . . 0.0 110.678 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 60.0 mtpt -98.35 137.4 37.11 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.111 -172.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -129.13 167.27 17.82 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.974 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.05 -11.84 19.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.405 -176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -130.83 143.61 50.86 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.129 0.49 . . . . 0.0 110.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.5 p -59.3 -41.42 88.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.56 -33.74 75.64 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -60.69 -42.53 97.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 tp -66.19 -40.34 90.36 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.917 175.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.12 -47.65 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.182 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.2 -46.79 87.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -58.09 -47.84 81.99 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.931 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -56.63 -33.66 66.52 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.901 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -19.52 65.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 120.446 0.165 . . . . 0.0 111.117 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.1 mtt -77.63 -31.22 52.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.598 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.346 0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 110.416 177.058 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 0 C5'-C4'-O4' 105.705 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 109.455 3.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 C3'-C2'-C1' 97.845 -3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.631 0 O3'-P-O5' 97.702 -3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 C3'-C2'-C1' 98.327 -3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.016 0 O3'-P-O5' 99.475 -2.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.447 0 P-O3'-C3' 124.026 3.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.476 0 P-O3'-C3' 124.109 3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.837 0 O3'-P-O5' 97.475 -3.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . 0.428 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.733 0 C5'-C4'-C3' 108.997 -3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.444 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.484 -3.371 0 O3'-P-O5' 96.724 -3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.444 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.979 0 C5'-C4'-C3' 111.172 -2.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . 0.436 " H1'" " H5'" ' B' ' 137' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.494 -3.425 1 P-O3'-C3' 124.759 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . 0.436 " H5'" " H1'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 P--O5' 1.638 4.468 1 C4'-C3'-C2' 98.345 -4.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O5'-C5'-C4' 114.877 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 1 O4'-C4'-C3' 110.162 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.183 1 P-O3'-C3' 124.66 4.133 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 5.036 0 O4'-C1'-C2' 103.88 -2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 O5'-C5'-C4' 114.893 3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.902 2 P-O3'-C3' 127.434 6.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.559 1 O4'-C4'-C3' 109.889 4.289 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.311 0 C4'-C3'-C2' 99.41 -3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.511 1 O5'-C5'-C4' 116.567 4.548 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.855 0 O4'-C4'-C3' 109.007 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.152 0 P-O3'-C3' 122.966 2.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.404 -2.105 0 C5'-C4'-C3' 109.136 -3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.367 2 O4'-C4'-C3' 112.015 6.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.986 0 C4'-C3'-C2' 99.553 -3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O3'-P-O5' 98.616 -2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.389 0 O3'-P-O5' 97.187 -3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C4'-C3' 110.817 5.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.577 1 P-O3'-C3' 124.905 4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.502 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.913 0 C5'-C4'-C3' 110.063 -3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.502 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.061 0 O4'-C4'-C3' 108.831 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.663 0.268 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -54.81 -50.95 67.3 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.917 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -84.47 24.56 0.98 Allowed 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.434 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -110.74 -6.19 14.84 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.51 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -76.43 156.93 83.15 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.557 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.82 147.06 30.5 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.441 2.094 . . . . 0.0 111.896 170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -139.39 145.24 38.7 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.72 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -136.39 151.26 49.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.016 0.436 . . . . 0.0 111.226 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.2 t -69.72 172.48 7.47 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.012 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -143.45 6.62 1.48 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.375 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -67.27 137.33 93.94 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.21 0.6 3.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.726 2.284 . . . . 0.0 113.586 -169.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.28 3.65 23.68 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.525 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -135.22 -89.27 0.34 Allowed 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.706 0.253 . . . . 0.0 111.195 -172.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.26 38.71 30.79 Favored 'General case' 0 CA--C 1.562 1.428 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.72 158.88 19.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -100.62 127.43 47.02 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.111 0.482 . . . . 0.0 111.304 -172.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -111.87 169.98 8.46 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.216 1.006 . . . . 0.0 110.566 178.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -123.79 -25.22 4.32 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.498 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 10.2 mptt -109.09 129.08 55.47 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.289 0.235 . . . . 0.0 110.444 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.0 tp -52.68 -50.42 63.32 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 p -68.23 -37.68 81.09 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.17 -29.53 64.1 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.835 0.35 . . . . 0.0 110.187 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.41 -40.99 63.84 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.858 169.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.25 -43.38 87.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.7 mmt -59.14 -46.29 88.74 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.81 -42.8 84.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -58.93 -31.21 68.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.236 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.543 ' NH2' ' H42' ' B' ' 135' ' ' ' DC' . 9.4 mmm180 -55.66 -38.32 69.44 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 121.359 -0.136 . . . . 0.0 110.683 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.47 -32.95 65.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -89.51 -20.41 23.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 122.707 0.403 . . . . 0.0 111.757 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 p -64.73 -33.13 75.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.976 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.18 0.8 76.04 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.516 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -87.98 32.78 0.73 Allowed 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -141.96 81.53 14.43 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.737 171.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.0 175.63 9.71 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.903 2.402 . . . . 0.0 113.391 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -132.4 169.89 15.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.442 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -132.85 157.91 43.86 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.775 0.322 . . . . 0.0 110.561 170.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 130.74 41.72 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.29 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -90.19 6.94 40.57 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.679 -171.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 84.0 m-85 -64.87 -22.73 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 122.524 -0.11 . . . . 0.0 111.288 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 69.64 -32.65 0.23 Allowed 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 123.396 0.679 . . . . 0.0 111.297 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' H ' ' C ' ' A' ' 41' ' ' PHE . 38.1 t70 -82.22 -20.32 37.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 169.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 t -79.44 -69.76 0.56 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.617 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 60.26 28.51 18.12 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.745 0.418 . . . . 0.0 111.739 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -95.51 146.26 24.57 Favored 'General case' 0 C--N 1.344 0.359 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -117.71 153.83 32.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.637 -174.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -137.72 164.68 28.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.947 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -100.92 -21.47 15.07 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.486 ' NH2' HE21 ' A' ' 53' ' ' GLN . 94.8 mtm-85 -131.3 150.18 52.26 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.996 0.427 . . . . 0.0 110.747 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -58.19 -37.74 75.36 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -67.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.289 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.486 HE21 ' NH2' ' A' ' 50' ' ' ARG . 80.4 mt-30 -65.63 -46.41 79.35 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.697 0.284 . . . . 0.0 110.354 174.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.34 -40.35 96.09 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.794 174.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.63 -42.43 91.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.593 0.357 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.406 ' NH1' HH11 ' A' ' 78' ' ' ARG . 6.4 mtp180 -56.98 -47.5 80.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.8 t60 -60.94 -36.6 79.78 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.458 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -53.17 -38.12 62.5 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 120.552 0.215 . . . . 0.0 110.817 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -55.27 -33.06 62.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.477 0.18 . . . . 0.0 111.117 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.5 ' NE ' " H3'" ' B' ' 129' ' ' ' DG' . 0.1 OUTLIER -65.52 -31.53 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.59 0.233 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 90.0 m-70 -95.63 -4.42 44.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -134.65 -6.21 2.5 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -169.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.61 1.2 Allowed Glycine 0 CA--C 1.538 1.5 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.9 t 67.84 -67.52 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 123.456 0.702 . . . . 0.0 111.685 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt 46.55 73.8 0.92 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 122.692 0.397 . . . . 0.0 110.736 -170.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.18 -17.92 30.95 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.769 2.313 . . . . 0.0 113.615 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -83.78 132.7 34.81 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -124.55 139.88 53.47 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 122.365 -0.209 . . . . 0.0 110.9 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.44 148.62 50.15 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.038 0.447 . . . . 0.0 110.298 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -90.09 2.45 55.24 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.604 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.57 -76.76 0.57 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.447 -173.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.7 p -87.3 -2.17 58.43 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 122.477 0.311 . . . . 0.0 111.367 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 62.38 24.42 14.54 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.79 0.436 . . . . 0.0 111.487 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.25 126.96 31.21 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 173.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -89.77 141.82 28.26 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.067 0.461 . . . . 0.0 111.175 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -131.88 161.66 32.49 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.345 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.5 p -99.36 -8.16 25.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.529 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 HH11 ' NH1' ' A' ' 56' ' ' ARG . 39.4 mtm180 -138.14 142.89 40.12 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.012 0.435 . . . . 0.0 110.921 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -63.82 -35.91 82.16 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.788 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.27 -40.95 96.0 Favored 'General case' 0 CA--C 1.568 1.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.926 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.501 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.6 m-70 -65.08 -46.29 81.71 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 122.51 -0.119 . . . . 0.0 110.826 172.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 tt -61.55 -45.78 92.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.518 0.199 . . . . 0.0 110.841 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -65.65 -34.57 78.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.755 0.312 . . . . 0.0 110.675 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -65.5 -49.42 69.08 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.634 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.79 -38.15 84.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.8 m -54.21 -41.2 68.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.806 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -62.34 -23.01 66.54 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.924 -0.125 . . . . 0.0 111.176 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 p -67.78 -37.52 82.16 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.391 0.139 . . . . 0.0 110.926 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -80.21 -23.02 41.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.482 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.77 -5.93 52.68 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.68 22.21 52.53 Favored Glycine 0 CA--C 1.545 1.932 0 C-N-CA 121.62 -0.324 . . . . 0.0 112.343 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.37 97.74 9.65 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.87 0.367 . . . . 0.0 110.77 -173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -122.59 83.78 48.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.518 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -85.88 -25.68 1.42 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.709 2.272 . . . . 0.0 113.048 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -73.4 82.3 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.879 0.371 . . . . 0.0 110.779 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -87.46 139.76 30.22 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.19 134.67 48.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -103.2 10.33 37.8 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.124 -174.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -64.84 151.03 93.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 120.782 0.325 . . . . 0.0 110.69 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.28 9.44 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 122.857 2.371 . . . . 0.0 113.151 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -145.25 18.85 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 122.212 0.205 . . . . 0.0 111.19 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -147.1 157.15 43.51 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -148.49 23.21 1.02 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.076 170.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.409 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.8 mtmm -67.48 143.89 55.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -176.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -119.18 140.17 50.61 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.003 0.43 . . . . 0.0 111.453 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.49 162.67 23.48 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.533 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.85 0.28 43.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.242 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -135.96 142.83 44.61 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.246 0.546 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.6 p -61.23 -43.69 98.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.954 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -67.44 -33.51 75.3 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 122.171 0.189 . . . . 0.0 111.43 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.6 -41.21 94.31 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.022 -0.424 . . . . 0.0 109.936 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.38 -44.15 75.8 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.08 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.7 m -58.25 -43.2 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 120.86 0.362 . . . . 0.0 110.207 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.72 -47.06 85.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 71.7 t60 -55.07 -48.74 73.09 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.76 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -57.23 -39.76 76.19 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.855 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -15.73 63.54 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.143 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 57.3 mtt -111.31 5.34 19.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.443 0.297 . . . . 0.0 110.993 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 110.904 -173.314 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.533 0 C5'-C4'-C3' 109.916 -3.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.354 1 O4'-C4'-C3' 110.017 4.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.43 0 O4'-C1'-C2' 101.883 -3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.571 1 P-O3'-C3' 124.816 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.484 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.882 0 C5'-C4'-O4' 113.468 2.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.501 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C4'--C3' 1.492 -3.564 1 O3'-P-O5' 94.863 -4.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.226 0 O4'-C4'-C3' 108.561 2.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.679 0 O4'-C1'-C2' 102.553 -3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.807 0 O4'-C4'-C3' 109.383 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.987 0 O4'-C1'-C2' 103.498 -2.365 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.413 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C2'--C1' 1.595 5.285 3 O4'-C4'-C3' 113.587 7.987 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.543 ' H42' ' NH2' ' A' ' 29' ' ' ARG . . . . . . . . 2 C5'--C4' 1.612 12.668 1 C5'-C4'-O4' 117.057 4.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . 0.536 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.566 3.809 1 C4'-C3'-C2' 98.457 -4.743 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.649 4 O3'-P-O5' 90.966 -6.86 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C4'-C3' 108.856 3.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.464 0 O4'-C4'-C3' 109.564 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 P-O3'-C3' 124.154 3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.859 0 O4'-C4'-C3' 107.71 2.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 2 P-O3'-C3' 125.013 4.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 0 P-O3'-C3' 124.425 3.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.663 0 O5'-C5'-C4' 115.696 3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . 0.424 ' N6 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O3'-P-O5' 95.971 -4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.688 2 O5'-C5'-C4' 118.731 6.094 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.464 0 O4'-C4'-C3' 108.326 2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.146 1 O4'-C4'-C3' 110.529 4.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.724 0 C5'-C4'-C3' 109.486 -3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.647 3.3 0 C5'-C4'-O4' 103.225 -3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.749 0 O3'-P-O5' 99.019 -2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.84 0 P-O3'-C3' 122.614 2.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.04 0 C5'-C4'-C3' 109.73 -3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 O4'-C4'-C3' 109.51 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.224 0 O4'-C4'-C3' 108.209 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.49 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.832 1 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.49 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.493 0 C3'-C2'-C1' 98.505 -2.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 120.664 0.269 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -64.01 -14.33 53.39 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.467 0.307 . . . . 0.0 111.348 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -62.33 -17.74 59.59 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.576 0.35 . . . . 0.0 111.295 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -69.87 -13.08 62.09 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.315 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 73.04 154.19 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 C-N-CA 123.467 0.707 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -82.0 169.99 14.18 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.746 2.297 . . . . 0.0 112.254 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -144.58 150.37 37.37 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ptm -136.45 156.3 48.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 169.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -67.45 153.51 43.53 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.691 173.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.65 -10.08 14.51 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.785 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -68.18 122.35 83.76 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.83 71.31 2.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 123.006 2.471 . . . . 0.0 112.529 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.45 -22.91 0.08 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.4 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 t -104.19 -74.56 0.64 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.682 0.393 . . . . 0.0 110.092 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 48.67 41.78 18.31 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.413 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -82.49 157.73 23.48 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.608 175.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.72 127.29 44.6 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.135 0.493 . . . . 0.0 111.317 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -111.65 170.04 8.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 123.991 0.916 . . . . 0.0 110.465 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.55 -26.25 4.59 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.583 -175.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 30.0 mtmm -109.04 123.23 48.82 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.731 0.301 . . . . 0.0 110.33 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -49.02 62.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.129 -176.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 m -68.3 -36.67 79.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.08 -29.39 65.23 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.746 0.308 . . . . 0.0 110.283 -179.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.16 -43.6 61.26 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.962 169.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.3 -38.75 77.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.383 -0.198 . . . . 0.0 110.658 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.61 94.11 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.699 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -57.89 -41.93 83.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.78 65.88 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.581 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -55.52 -38.34 69.1 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.47 -36.6 69.27 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.708 0.29 . . . . 0.0 110.896 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -89.9 -16.89 29.07 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 122.999 0.519 . . . . 0.0 112.037 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -18.39 63.46 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.39 -169.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.92 40.17 1.79 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -118.21 52.12 1.03 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.907 0.384 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.51 119.95 38.87 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.998 173.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.79 93.65 1.06 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.477 2.118 . . . . 0.0 112.502 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -94.35 149.11 21.55 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.893 170.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -132.69 147.9 52.34 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.519 0.199 . . . . 0.0 110.624 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.81 156.94 31.74 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.404 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -134.25 23.22 3.79 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CE2' ' CE1' ' A' ' 61' ' ' HIS . 94.9 m-85 -70.76 164.24 25.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.088 0.47 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -81.95 -0.32 43.39 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.89 2.86 4.87 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 t -153.09 143.02 22.19 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 120.972 0.415 . . . . 0.0 111.317 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -146.11 39.03 1.09 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.399 169.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -77.35 152.75 34.31 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 148.31 27.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.742 -176.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.8 m-85 -138.5 164.77 28.55 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.001 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -109.06 -20.43 13.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.491 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.65 146.47 44.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.05 0.452 . . . . 0.0 110.575 173.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.5 t -60.64 -36.84 79.66 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.413 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.51 -36.66 83.26 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.351 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.53 -50.84 71.06 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.62 -44.25 96.56 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -47.16 84.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.288 0.235 . . . . 0.0 110.931 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.04 -47.46 80.87 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.77 -36.75 79.75 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.601 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.09 -38.26 62.41 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.703 0.287 . . . . 0.0 110.454 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -55.13 -32.99 62.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.087 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -55.76 -33.14 64.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.52 0.328 . . . . 0.0 111.49 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -104.83 -32.05 9.0 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.634 0.255 . . . . 0.0 111.251 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.2 p -86.52 -5.26 59.19 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -173.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.8 7.94 45.04 Favored Glycine 0 CA--C 1.544 1.853 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.793 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -70.02 106.02 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.906 -175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -117.03 83.84 15.51 Favored Pre-proline 0 N--CA 1.475 0.809 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.12 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.88 -14.6 8.68 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.619 2.213 . . . . 0.0 113.12 -171.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -89.06 130.21 35.56 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -124.14 141.27 52.2 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.46 148.36 50.73 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.021 0.438 . . . . 0.0 110.418 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 6.56 47.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.866 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.62 -64.28 1.12 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.744 -172.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.6 p -96.61 -6.39 36.87 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.352 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 19.68 10.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.894 0.478 . . . . 0.0 111.438 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -74.66 130.33 39.32 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.845 0.355 . . . . 0.0 110.472 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -92.65 144.56 25.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 111.183 -177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -134.84 159.86 40.04 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.9 p -98.33 0.02 44.71 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.529 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -135.24 134.09 39.66 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 p -64.0 -39.82 94.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.665 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -64.74 -42.04 95.47 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.4 m-70 -63.82 -42.21 97.69 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 122.435 -0.166 . . . . 0.0 110.853 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.2 tt -64.32 -46.7 82.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.412 0.149 . . . . 0.0 110.705 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.42 -34.27 76.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.724 0.297 . . . . 0.0 110.561 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.7 m -66.95 -49.61 64.92 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -54.12 -40.76 67.62 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.92 -27.49 68.86 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.062 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.6 m -62.63 -35.96 81.28 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.395 0.14 . . . . 0.0 111.017 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -86.27 -25.1 25.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.671 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 m -91.68 -6.01 52.78 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.54 15.57 47.15 Favored Glycine 0 CA--C 1.546 2.016 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.365 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.57 90.67 3.92 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.015 0.436 . . . . 0.0 110.808 -174.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -117.77 83.7 18.69 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.474 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -84.48 -17.74 5.15 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.645 2.23 . . . . 0.0 113.051 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.855 0.36 . . . . 0.0 110.99 -175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 m -80.25 140.91 36.01 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.994 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.7 t -70.2 139.3 52.29 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 8.64 33.53 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.58 152.36 86.04 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 120.726 0.298 . . . . 0.0 110.764 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.65 4.64 2.91 Favored 'Trans proline' 0 CA--C 1.547 1.172 0 C-N-CA 122.819 2.346 . . . . 0.0 113.105 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -143.11 25.39 1.75 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -153.19 157.4 40.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 111.195 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -148.38 22.55 1.05 Allowed 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.065 169.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.2 mtmm -65.42 135.76 55.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.479 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 16.6 ptmt -111.79 136.24 51.33 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 111.549 -169.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -119.92 164.9 15.36 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.527 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.07 0.11 34.38 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.175 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -133.84 139.94 46.57 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 110.744 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -59.39 -43.68 92.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.885 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.48 -33.69 75.64 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.523 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -60.76 -42.77 98.13 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.62 -41.84 92.26 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.964 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.5 t -58.11 -47.63 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.28 -46.74 87.71 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.549 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.432 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 61.3 t60 -54.9 -50.12 69.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.711 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.06 -38.62 73.52 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.882 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -15.68 63.56 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.083 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.7 mtt -114.56 9.77 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.934 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.345 0.373 0 CA-C-O 120.772 0.32 . . . . 0.0 110.978 -174.325 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 C5'-C4'-C3' 110.055 -3.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 P-O3'-C3' 122.755 2.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.695 3 C4'-C3'-C2' 98.236 -4.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C4'-C3' 109.536 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.506 0 C3'-C2'-C1' 99.462 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.63 3.656 0 O4'-C4'-C3' 108.922 3.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.963 4 O3'-P-O5' 92.831 -5.879 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.02 1 O3'-P-O5' 96.125 -4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 0 O4'-C4'-C3' 109.229 3.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 5.008 0 O4'-C4'-C3' 109.064 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.648 5.521 1 C5'-C4'-C3' 108.112 -4.392 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.148 0 O4'-C1'-C2' 102.743 -3.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.04 1 O3'-P-O5' 95.437 -4.507 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.204 1 O3'-P-O5' 95.512 -4.468 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.567 0 P-O3'-C3' 124.403 3.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O3'-P-O5' 94.967 -4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.796 1 P-O3'-C3' 125.125 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.191 0 O4'-C4'-C3' 109.367 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 P-O3'-C3' 124.196 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O3'-P-O5' 96.463 -3.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.542 2.422 2 O4'-C4'-C3' 110.277 4.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.606 1 O4'-C4'-C3' 110.539 4.939 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.784 0 O5'-C5'-C4' 115.779 3.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 P-O3'-C3' 124.213 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.514 2 C4'-C3'-C2' 98.615 -4.585 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.823 1 O4'-C4'-C3' 111.191 5.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.487 1 O4'-C4'-C3' 110.802 5.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.605 1 C5'-C4'-C3' 107.725 -4.65 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.59 0 O4'-C1'-C2' 103.16 -2.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.903 2 O4'-C4'-C3' 111.005 5.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.459 0 P-O3'-C3' 123.464 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.734 0 P-O3'-C3' 123.684 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.484 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O5' 1.617 2.406 0 O4'-C4'-C3' 109.0 3.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.484 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.442 0 C3'-C2'-C1' 98.433 -3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -159.53 8.41 0.11 Allowed 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.614 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.29 -51.0 14.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.734 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -79.12 68.16 5.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.85 83.72 18.59 Favored Pre-proline 0 CA--C 1.55 0.972 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.83 -13.98 19.56 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.749 2.299 . . . . 0.0 112.961 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -99.48 142.95 30.29 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.8 ptm -136.44 151.44 49.5 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.068 0.461 . . . . 0.0 111.359 169.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.8 t -71.88 167.07 20.81 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.324 169.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.59 -1.4 7.42 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.309 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -68.66 123.9 88.87 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -52.51 -28.02 34.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.888 2.392 . . . . 0.0 113.667 -173.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -0.32 86.41 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 22.7 t -130.33 -85.74 0.52 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 122.562 0.345 . . . . 0.0 110.658 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 23.85 14.11 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 122.727 0.411 . . . . 0.0 111.431 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HE3' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -81.69 167.25 19.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.722 0.296 . . . . 0.0 110.986 -176.624 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.43 133.77 52.67 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.163 0.506 . . . . 0.0 111.393 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -118.81 168.28 10.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.978 0.911 . . . . 0.0 110.851 -177.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -114.58 -52.65 2.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -77.22 118.41 19.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -48.04 -49.81 30.05 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.803 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.7 p -67.94 -35.6 78.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -35.08 74.91 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.923 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.99 -36.77 67.11 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 172.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -48.55 80.9 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.11 -0.369 . . . . 0.0 110.058 174.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.18 -47.13 82.01 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -57.79 -41.55 82.32 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.523 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -59.45 -36.67 76.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -56.37 -37.95 70.76 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.638 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.3 -33.72 65.82 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.665 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.23 -21.36 50.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.363 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.2 p -56.68 -13.65 2.63 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.71 2.97 80.98 Favored Glycine 0 CA--C 1.552 2.368 0 C-N-CA 121.514 -0.374 . . . . 0.0 112.807 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -77.65 -16.31 58.62 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 116.866 0.333 . . . . 0.0 111.589 -175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -82.86 120.12 75.67 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.22 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.99 100.45 0.52 Allowed 'Trans proline' 0 CA--C 1.55 1.32 0 C-N-CA 122.903 2.402 . . . . 0.0 112.393 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.39 161.07 14.81 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.293 173.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -132.71 154.18 50.42 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.71 0.29 . . . . 0.0 110.955 170.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.23 145.96 53.8 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.676 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.57 -21.1 30.56 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.11 113.46 3.96 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.403 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -67.33 -15.68 63.83 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.822 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -90.87 2.61 56.01 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 120.572 0.225 . . . . 0.0 110.928 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.6 t -114.01 -78.96 0.58 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.813 0.445 . . . . 0.0 110.073 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 69.16 21.32 7.26 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.243 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -80.76 168.21 19.08 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.794 0.331 . . . . 0.0 110.417 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -121.59 153.9 37.46 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.6 m-85 -135.94 164.6 27.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.183 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -105.95 0.4 25.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.608 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -148.48 153.81 38.97 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.885 0.374 . . . . 0.0 111.007 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -61.64 -44.59 96.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.861 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' CG ' ' H61' ' C' ' 147' ' ' ' DA' . 1.4 p-10 -62.71 -33.98 76.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.185 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -72.52 -43.11 64.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.558 0.218 . . . . 0.0 110.721 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.95 -43.38 95.06 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.83 -44.99 94.68 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.176 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.15 -45.3 93.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.665 0.269 . . . . 0.0 110.326 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 t60 -60.74 -38.72 86.11 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.18 -35.29 59.66 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.732 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -54.78 -33.28 61.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.746 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -55.65 -47.64 76.31 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.087 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -71.1 -31.53 67.91 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.974 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -71.02 -21.85 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.247 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 -5.27 8.61 Favored Glycine 0 CA--C 1.554 2.491 0 C-N-CA 121.686 -0.292 . . . . 0.0 113.032 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.0 t -76.19 137.2 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -175.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -119.42 85.38 31.39 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.201 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.9 -21.12 7.12 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.639 2.226 . . . . 0.0 113.211 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -77.88 83.07 4.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 120.847 0.356 . . . . 0.0 110.667 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -90.71 131.32 36.46 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.761 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.1 t -64.67 126.64 28.55 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.302 0.572 . . . . 0.0 111.354 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -7.55 7.3 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.662 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -65.81 1.02 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.302 0.241 . . . . 0.0 110.805 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.93 1.29 19.02 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 120.658 0.266 . . . . 0.0 111.574 -173.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 66.37 14.4 9.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.259 0.624 . . . . 0.0 111.78 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.09 118.14 4.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 169.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 140.42 29.53 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.031 0.443 . . . . 0.0 111.006 -175.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -134.08 163.99 28.34 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.287 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 p -99.57 -9.26 23.45 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.35 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -137.0 148.39 46.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.042 0.448 . . . . 0.0 111.162 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 p -69.65 -40.34 76.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.04 -34.91 78.58 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-O 120.545 0.212 . . . . 0.0 110.988 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.463 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.5 m-70 -66.67 -46.57 75.23 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 172.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.75 -47.56 83.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.624 0.25 . . . . 0.0 110.979 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -62.31 -34.39 76.52 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.507 0.323 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 m -68.6 -49.58 58.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.597 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -62.51 -30.83 71.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.5 m -54.15 -40.23 67.23 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -61.61 -22.82 65.57 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.861 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.42 -39.35 67.24 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.014 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -19.9 20.0 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 120.519 0.2 . . . . 0.0 111.061 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -91.66 -6.25 52.45 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.6 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.88 9.63 41.07 Favored Glycine 0 CA--C 1.545 1.911 0 C-N-CA 121.299 -0.476 . . . . 0.0 112.861 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -80.79 99.3 8.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.871 0.367 . . . . 0.0 110.99 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.46 84.87 36.57 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.73 -24.78 2.15 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.557 2.171 . . . . 0.0 112.909 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -75.93 80.58 2.81 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -85.46 139.69 31.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.42 161.07 31.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 5.98 10.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.165 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -70.89 158.48 87.99 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.19 110.12 0.33 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.188 2.592 . . . . 0.0 113.194 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.0 t 59.97 20.31 9.37 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.047 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.439 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 32.0 t -80.29 -84.72 0.09 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.579 0.228 . . . . 0.0 110.643 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.55 18.73 11.35 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.944 0.498 . . . . 0.0 111.48 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 46.4 mtmt -65.63 134.17 52.71 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -109.36 144.93 36.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.046 0.451 . . . . 0.0 111.742 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -128.34 162.75 26.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.58 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.04 -1.62 39.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -134.19 140.59 46.61 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 p -57.31 -45.52 84.13 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.755 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -67.17 -33.7 75.96 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.442 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.68 -41.56 95.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.13 -43.37 87.3 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.957 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.06 -41.52 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.321 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.63 -46.89 80.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -54.42 -49.22 70.47 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.66 -41.02 76.52 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -71.0 -15.59 62.58 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.231 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.6 mtt -107.32 3.43 25.38 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.008 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 111.052 -172.725 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 0 O4'-C4'-C3' 107.941 2.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C4'-C3' 108.302 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.573 0 C3'-C2'-C1' 97.957 -3.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 P-O3'-C3' 123.417 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.41 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.406 -3.675 0 C3'-C2'-C1' 98.272 -3.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.463 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.366 2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C4'-C3' 109.999 4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.399 -2.546 0 O4'-C1'-C2' 103.208 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.653 3.796 4 C4'-C3'-C2' 96.495 -6.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.375 -4.045 1 O3'-P-O5' 95.369 -4.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.661 6.785 2 C5'-C4'-C3' 105.247 -6.302 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.554 5.383 3 O4'-C4'-C3' 111.223 5.623 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.58 6.154 2 P-O3'-C3' 126.566 5.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.403 1 P-O3'-C3' 125.323 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.794 0 O3'-P-O5' 98.668 -2.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O3'-P-O5' 97.121 -3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 1 P-O3'-C3' 125.236 4.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.814 0 O5'-C5'-C4' 113.304 2.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 4 O4'-C4'-C3' 110.5 4.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 P-O3'-C3' 123.11 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 C5'-C4'-O4' 115.114 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.468 0 O4'-C4'-C3' 109.558 3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.718 1 O5'-C5'-C4' 119.873 6.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . 0.405 ' H61' ' CG ' ' A' ' 52' ' ' ASP . . . . . . . . 1 P--O5' 1.641 4.79 1 O4'-C4'-C3' 110.028 4.428 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 O4'-C1'-C2' 101.968 -3.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.264 1 O3'-P-O5' 96.102 -4.157 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 109.158 -3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 C4'-C3'-C2' 100.03 -3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C4'-C3' 107.466 1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C4'-C3' 108.752 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.37 0 O4'-C4'-C3' 109.338 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O3'-P-O5' 99.654 -2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.504 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C4'-C3' 109.312 3.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.504 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.012 0 C3'-C2'-C1' 97.602 -3.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.947 0 CA-C-O 120.562 0.22 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -77.67 75.51 4.21 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 120.792 0.33 . . . . 0.0 110.698 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.34 160.95 42.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -73.04 158.63 35.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.737 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 145.01 82.93 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.335 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.79 145.75 29.19 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.493 2.129 . . . . 0.0 112.29 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.99 152.89 36.87 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.586 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -136.66 154.38 50.65 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.982 0.42 . . . . 0.0 111.586 169.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 46.4 t -77.68 -178.4 5.32 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.243 169.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -132.41 -16.39 2.72 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.32 133.07 95.53 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-O 120.445 0.164 . . . . 0.0 110.686 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.54 -33.39 57.81 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.703 2.269 . . . . 0.0 113.184 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.82 7.86 64.65 Favored Glycine 0 CA--C 1.547 2.033 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.742 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -147.56 -89.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.393 0.277 . . . . 0.0 110.717 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.74 39.51 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -175.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 172.02 7.96 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.862 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -101.98 137.45 40.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 111.87 -170.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HH ' ' CE1' ' A' ' 27' ' ' HIS . 78.9 m-85 -119.07 168.33 10.93 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.702 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -123.71 -30.77 3.54 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.725 -174.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 6.3 mptp? -100.69 118.48 36.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.793 0.33 . . . . 0.0 110.347 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -46.87 -52.7 13.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 p -68.11 -35.83 78.77 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.71 -36.09 79.98 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.59 -44.07 68.09 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.057 171.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.23 -41.5 84.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.344 -0.222 . . . . 0.0 110.779 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.46 82.71 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.703 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CE1' ' HH ' ' A' ' 18' ' ' TYR . 25.2 t60 -57.9 -39.23 77.4 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.562 0.22 . . . . 0.0 110.48 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -59.09 -35.0 72.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.946 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -38.6 70.28 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.39 -34.08 66.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.247 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -84.05 -28.83 27.35 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p -53.42 -24.43 12.54 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.563 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.03 8.74 73.09 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.68 -0.295 . . . . 0.0 112.61 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -125.1 28.18 6.46 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.791 0.436 . . . . 0.0 110.841 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -83.82 112.32 39.34 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.383 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.08 105.84 1.91 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.48 2.12 . . . . 0.0 112.472 -173.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -117.94 162.59 17.88 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -132.64 156.74 46.38 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.95 132.47 42.23 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -69.45 -21.77 63.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -71.77 109.33 5.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.876 0.37 . . . . 0.0 110.303 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.3 -19.24 44.66 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.873 -173.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.36 1.33 49.25 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.316 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.01 -64.77 1.01 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.622 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 66.41 29.91 9.04 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 122.789 0.436 . . . . 0.0 111.82 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.8 170.75 15.9 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 169.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -130.88 151.35 51.41 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.3 m-85 -140.39 164.64 29.58 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.178 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 p -113.24 7.06 17.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.593 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -156.2 153.2 28.83 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 111.064 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 m -56.23 -44.48 79.64 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.616 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.98 -38.26 90.41 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.313 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -61.43 -49.77 75.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.672 0.272 . . . . 0.0 110.272 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.46 -46.38 90.31 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 176.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.85 -42.29 98.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.083 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.68 -46.13 91.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.63 -39.91 90.01 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.128 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -53.32 -37.31 62.16 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.215 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -55.22 -33.21 62.89 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 122.511 -0.118 . . . . 0.0 111.047 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -60.38 -34.09 73.4 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.157 0.183 . . . . 0.0 111.36 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -90.55 -41.54 11.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.725 0.298 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -77.88 -16.37 58.31 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.355 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.44 7.01 67.27 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 121.661 -0.304 . . . . 0.0 113.041 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.83 137.33 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.03 0.443 . . . . 0.0 111.011 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.44 77.92 75.14 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.103 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.3 -14.96 22.83 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.668 2.246 . . . . 0.0 113.133 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -89.61 126.84 35.78 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -124.33 132.69 53.56 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.401 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 37.0 t -64.78 124.14 21.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.524 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -62.71 -11.74 19.31 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.62 178.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.99 -74.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.335 0.254 . . . . 0.0 110.829 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.72 1.03 56.65 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 64.91 17.35 11.0 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.638 0.375 . . . . 0.0 111.435 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -66.45 122.27 17.17 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-O 120.811 0.339 . . . . 0.0 110.279 175.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -89.4 146.07 24.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.306 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -141.5 161.83 36.96 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.423 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -101.93 -3.41 27.88 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.667 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.34 130.35 36.83 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.4 t -58.07 -39.39 78.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.74 -34.99 79.46 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.538 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.422 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 63.6 m170 -75.86 -34.77 60.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.9 -0.136 . . . . 0.0 110.86 176.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.29 -46.9 72.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.622 0.249 . . . . 0.0 110.616 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -61.91 -34.38 75.95 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.723 0.297 . . . . 0.0 110.613 176.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 -49.5 56.81 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -61.97 -32.4 72.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.0 m -54.14 -41.1 68.05 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -62.01 -23.23 66.3 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.475 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -67.39 -29.35 68.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.893 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -92.99 -23.49 18.67 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.682 0.277 . . . . 0.0 110.751 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 m -91.85 -6.07 52.24 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.382 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.7 16.08 49.91 Favored Glycine 0 CA--C 1.546 2.002 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.483 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 95.51 5.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.719 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -121.5 79.34 37.73 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.471 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.38 -17.97 6.16 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.629 2.22 . . . . 0.0 113.034 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.75 77.44 9.5 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.0 p -78.81 143.85 35.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 14.0 t -70.48 161.27 30.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.142 0.496 . . . . 0.0 111.098 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -123.48 7.16 8.95 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.863 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.22 158.66 83.68 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 120.816 0.341 . . . . 0.0 111.009 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.95 113.54 1.13 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.831 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t 61.13 27.96 17.69 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.822 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.451 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.9 t -79.96 171.19 15.43 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-O 121.131 0.491 . . . . 0.0 110.746 172.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.451 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -161.74 24.4 0.12 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.665 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.411 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 2.7 mppt? -95.78 140.73 30.15 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 120.692 0.282 . . . . 0.0 110.535 -176.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -128.51 146.49 50.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.925 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -129.39 162.9 26.98 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.82 34.04 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.103 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -134.18 142.25 47.36 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.661 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.7 p -57.83 -45.12 86.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.674 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.32 -33.65 75.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.699 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.81 -38.36 85.12 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.2 tp -67.53 -43.25 81.23 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.803 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.02 -41.64 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.161 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.09 85.18 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.419 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.53 -49.09 73.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.804 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.62 -39.6 73.91 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.946 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -72.4 -15.56 61.84 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 120.494 0.187 . . . . 0.0 111.208 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.3 mtp -103.94 -1.76 27.15 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.965 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.346 0.418 0 CA-C-O 120.681 0.277 . . . . 0.0 111.107 -171.48 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.025 0 C5'-C4'-O4' 104.111 -3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.861 0 O4'-C4'-C3' 108.049 2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.488 0 C3'-C2'-C1' 97.652 -3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.144 3 O4'-C4'-C3' 111.715 6.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.422 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.406 -3.682 0 C3'-C2'-C1' 97.196 -3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.417 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.41 -3.274 0 O4'-C1'-C2' 103.175 -2.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.646 5.255 1 P-O3'-C3' 124.774 4.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.61 0 P-O3'-C3' 123.194 2.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C4'-C3' 109.695 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 0 C5'-C4'-O4' 104.264 -3.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.419 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 O4'--C4' 1.383 -5.727 4 O4'-C4'-C3' 113.326 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.419 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.545 -4.766 2 C4'-C3'-C2' 98.272 -4.928 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C2'--C1' 1.586 4.658 0 P-O3'-C3' 123.891 3.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.673 5.461 0 O4'-C4'-C3' 109.21 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.388 1 C5'-C4'-C3' 108.598 -4.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O3'-P-O5' 96.404 -3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.271 0 P-O3'-C3' 122.843 2.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 O4'-C4'-C3' 108.122 2.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 0 P-O3'-C3' 123.868 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 P-O3'-C3' 123.549 3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.711 1 P-O3'-C3' 125.317 4.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.964 1 O4'-C1'-C2' 100.692 -4.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.455 2 P-O3'-C3' 127.854 6.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 C5'-C4'-O4' 103.243 -3.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.933 0 C5'-C4'-C3' 110.166 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.152 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.647 3.294 2 O4'-C4'-C3' 110.998 5.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C4'-C3' 108.212 2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.149 0 P-O3'-C3' 124.303 3.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.158 1 O4'-C4'-C3' 111.155 5.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.274 1 C5'-C4'-C3' 108.625 -4.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 0 P-O3'-C3' 124.249 3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.518 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 1 P--O5' 1.634 4.068 0 O4'-C4'-C3' 109.181 3.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.518 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 P-O3'-C3' 122.999 2.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -73.18 -10.15 59.47 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.099 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.75 179.36 6.74 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.85 0.46 . . . . 0.0 110.397 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 72.62 -49.08 0.69 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.234 0.614 . . . . 0.0 111.607 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.401 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 47.4 mtm180 -71.72 -46.0 12.49 Favored Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 122.244 0.218 . . . . 0.0 111.43 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 5' ' ' ARG . 13.1 Cg_exo -68.73 171.47 13.25 Favored 'Trans proline' 0 C--N 1.37 1.71 0 C-N-CA 122.198 1.932 . . . . 0.0 112.074 176.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -77.62 94.58 4.4 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 172.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.4 ptm -103.67 144.21 31.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.197 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 t -80.19 141.99 35.12 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.007 171.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.74 11.46 2.69 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -63.71 119.47 54.63 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -48.31 106.86 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.711 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.68 -39.12 1.98 Allowed Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -170.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.76 173.71 6.22 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.068 0.547 . . . . 0.0 110.719 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.71 117.67 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.292 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -154.1 173.7 15.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.347 0.118 . . . . 0.0 110.898 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -136.59 133.76 36.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -130.27 163.53 26.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.591 -173.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -120.02 -44.35 2.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -77.06 112.64 13.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.564 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.4 tt -43.91 -49.67 8.33 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.85 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 p -68.05 -35.5 78.34 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -34.67 67.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.989 -178.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.14 -38.19 66.36 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.618 170.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.23 87.16 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.6 tpt -63.02 -47.61 82.35 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.07 -41.27 83.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.624 0.25 . . . . 0.0 110.646 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 m -59.24 -28.17 66.46 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -55.35 -38.34 68.65 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.81 -177.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.5 -34.01 68.63 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.619 0.247 . . . . 0.0 110.963 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -89.84 -2.73 58.28 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.903 0.481 . . . . 0.0 112.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -75.96 -36.56 59.26 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.271 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.0 48.87 4.03 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -106.42 -18.61 13.93 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 122.4 0.28 . . . . 0.0 111.087 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -55.81 113.78 6.29 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.215 -171.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 109.65 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.787 2.325 . . . . 0.0 112.681 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -120.01 103.79 9.6 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 157.16 16.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.916 0.388 . . . . 0.0 110.755 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.02 156.19 39.49 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.591 171.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -141.0 51.56 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.854 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 61' ' ' HIS . 74.7 m-85 -100.19 -3.94 30.57 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.343 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.99 -53.82 0.67 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 122.967 0.507 . . . . 0.0 110.51 -170.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.87 -15.44 61.6 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.943 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -138.62 137.47 36.95 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.052 0.454 . . . . 0.0 111.094 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -143.79 47.42 1.45 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.623 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -71.14 177.28 3.88 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.228 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.17 147.26 51.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.079 177.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.17 164.78 29.15 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.584 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -105.37 -12.23 16.12 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.615 0.245 . . . . 0.0 111.49 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.25 143.86 49.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 110.59 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -58.54 -37.97 76.8 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.55 -42.71 97.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.066 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.78 -50.98 70.17 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.436 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.9 tp -62.76 -46.64 87.1 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.933 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.02 -41.07 97.57 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.376 0.27 . . . . 0.0 111.124 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -63.46 -47.13 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.56 -36.49 78.61 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.105 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.18 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.395 0.278 . . . . 0.0 110.777 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -55.45 -32.9 63.14 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.719 -0.218 . . . . 0.0 111.488 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -55.69 -34.61 65.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.047 0.139 . . . . 0.0 111.29 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 1.3 m80 -87.17 -44.81 11.22 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.643 0.258 . . . . 0.0 110.942 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -77.19 -14.32 59.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 -173.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.92 3.51 60.16 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.913 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.88 124.19 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.818 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -124.53 78.76 62.45 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.233 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.0 -20.38 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.698 2.265 . . . . 0.0 113.039 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -79.07 79.54 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.786 0.327 . . . . 0.0 110.648 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -90.81 130.5 36.77 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.864 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.77 125.52 25.06 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.189 0.518 . . . . 0.0 111.048 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -2.21 1.59 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.035 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -61.65 1.56 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.242 0.217 . . . . 0.0 111.001 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.4 p -113.66 4.11 15.92 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.439 -172.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 62.32 17.88 9.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.996 0.518 . . . . 0.0 111.869 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -57.49 107.49 0.44 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -88.01 133.78 33.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -129.05 162.54 27.42 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.352 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -104.43 4.89 33.76 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -136.62 137.98 40.7 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.3 p -71.7 -35.51 70.25 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.72 -37.5 82.29 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.002 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.443 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.4 m-70 -64.64 -45.26 87.54 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 172.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.3 tt -64.61 -46.69 81.56 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.488 0.185 . . . . 0.0 111.009 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.31 -34.22 77.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.711 0.291 . . . . 0.0 110.676 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.7 m -69.14 -49.68 54.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.648 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.4 -32.86 73.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.818 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 m -53.94 -40.25 66.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.967 0.507 . . . . 0.0 110.786 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -61.89 -22.77 65.84 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.22 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.2 m -54.34 -35.54 62.83 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.46 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -94.93 -33.46 12.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.359 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.9 p -91.4 -6.14 53.32 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.144 -169.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.97 2.29 30.02 Favored Glycine 0 CA--C 1.547 2.061 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.009 173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.75 92.93 0.91 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.937 0.368 . . . . 0.0 110.627 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -119.31 82.34 23.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.29 -18.19 8.63 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.671 2.247 . . . . 0.0 113.226 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 91.5 m-85 -81.97 79.48 8.48 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.926 0.393 . . . . 0.0 110.992 -175.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 t -78.7 146.02 34.21 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.7 t -70.39 161.26 30.8 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.362 169.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -125.78 5.34 7.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.803 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.405 ' C ' ' H ' ' A' ' 101' ' ' SER . 8.7 m95 -64.26 149.62 94.14 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.771 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.12 23.34 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 123.032 2.488 . . . . 0.0 113.129 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.7 m -162.54 27.07 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.342 0.257 . . . . 0.0 110.771 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.8 t -139.04 152.7 47.8 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-O 121.086 0.47 . . . . 0.0 111.183 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -146.6 32.54 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.923 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -80.91 143.16 32.88 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -118.82 142.71 47.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.55 161.72 26.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.584 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.16 -0.97 37.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -133.03 139.13 47.05 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.13 0.49 . . . . 0.0 110.747 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 5.3 p -57.1 -44.72 83.46 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.654 177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.61 -33.38 74.87 Favored 'General case' 0 CA--C 1.558 1.264 0 O-C-N 122.251 -0.281 . . . . 0.0 111.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -40.98 96.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.9 tp -65.56 -44.3 87.21 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.856 173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.8 -41.41 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 120.81 0.338 . . . . 0.0 110.34 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.87 -46.85 80.07 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.538 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -54.53 -49.49 70.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.724 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.74 -39.49 74.05 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -17.0 63.71 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.102 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -108.74 3.76 23.0 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.03 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.379 0 CA-C-O 120.66 0.267 . . . . 0.0 111.017 -172.691 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.913 0 C5'-C4'-C3' 109.214 -3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.786 0 O4'-C4'-C3' 109.023 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.909 0 O4'-C4'-C3' 109.093 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.867 0 P-O3'-C3' 124.084 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.316 0 C3'-C2'-C1' 97.849 -3.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.443 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.544 4.094 0 O4'-C1'-C2' 103.286 -2.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.667 0 P-O3'-C3' 124.05 3.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-C2' 102.083 -3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.669 0 O4'-C4'-C3' 109.303 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.641 1 O4'-C4'-C3' 109.913 4.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.493 1 C5'-C4'-C3' 107.428 -4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-C2' 101.863 -3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C4'-C3' 108.913 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.212 0 O3'-P-O5' 96.676 -3.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O3'-P-O5' 97.148 -3.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 P-O3'-C3' 123.592 3.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 124.475 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C4'-C3' 108.772 3.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 109.507 3.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.15 0 O4'-C4'-C3' 108.768 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 1 P-O3'-C3' 124.629 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 0 P-O3'-C3' 124.242 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 2 P-O3'-C3' 124.991 4.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 0 P-O3'-C3' 123.973 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C4'-C3' 108.322 2.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 1 O3'-P-O5' 95.197 -4.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.768 3 O4'-C4'-C3' 112.335 6.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 P-O3'-C3' 122.977 2.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.209 0 O4'-C4'-C3' 108.444 2.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.807 0 O4'-C4'-C3' 108.532 2.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.119 1 O4'-C4'-C3' 110.527 4.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.456 0 O4'-C4'-C3' 109.426 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.548 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.87 1 O4'-C4'-C3' 110.854 5.254 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.548 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C5'-C4'-O4' 104.608 -2.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 120.564 0.221 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -59.71 -25.68 64.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.342 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.74 -7.87 37.77 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.319 0.248 . . . . 0.0 111.424 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -106.26 12.75 29.67 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.313 0.245 . . . . 0.0 110.998 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -110.74 156.59 40.38 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 122.459 0.303 . . . . 0.0 110.609 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.03 155.6 29.96 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -145.65 155.94 43.33 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.437 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.4 mtp -135.93 143.57 45.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.951 0.405 . . . . 0.0 110.666 169.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.45 158.72 23.11 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.354 171.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.97 20.04 3.02 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -85.91 122.44 72.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 171.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.73 96.59 0.25 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.385 2.057 . . . . 0.0 111.631 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.11 -22.27 1.25 Allowed Glycine 0 CA--C 1.543 1.843 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -169.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.0 -79.81 0.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.896 0.479 . . . . 0.0 110.257 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 56.7 40.8 29.01 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 122.82 0.448 . . . . 0.0 111.469 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -99.95 167.73 10.31 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.919 0.39 . . . . 0.0 111.262 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -99.4 127.19 45.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.522 -171.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -103.44 167.17 9.98 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.818 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -129.39 47.42 2.49 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.357 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -179.84 142.85 0.17 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.095 175.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.53 -55.67 14.44 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.773 0.32 . . . . 0.0 110.365 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -67.97 -35.68 78.79 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.974 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.91 -32.57 65.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.105 -179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.0 -32.9 65.44 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.737 169.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -41.81 92.92 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.095 -0.378 . . . . 0.0 110.385 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 mmt -59.29 -49.85 76.26 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -58.22 -33.98 69.9 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.154 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -60.97 -35.25 76.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -56.31 -38.47 71.31 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.92 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -30.93 66.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.497 0.189 . . . . 0.0 111.027 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.64 -21.18 22.91 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.671 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 p -64.02 -33.83 76.62 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.223 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.35 -8.37 75.13 Favored Glycine 0 CA--C 1.542 1.729 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.672 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.37 -15.83 62.39 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.987 0.394 . . . . 0.0 110.751 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -136.6 77.59 45.54 Favored Pre-proline 0 CA--C 1.556 1.181 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.854 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -84.76 -179.0 3.5 Favored 'Trans proline' 0 CA--C 1.55 1.278 0 C-N-CA 123.158 2.572 . . . . 0.0 112.415 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -130.88 168.54 17.13 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 -179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.52 157.71 43.96 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.813 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 t -62.48 131.18 48.32 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.511 175.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.21 6.0 48.32 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -66.84 154.68 40.31 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.057 0.456 . . . . 0.0 110.951 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.26 -35.46 79.04 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.54 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.46 52.52 1.82 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 34.2 t -136.66 173.13 12.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.091 0.472 . . . . 0.0 110.824 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -158.02 21.33 0.26 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.773 -179.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -78.56 162.84 26.01 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.842 0.353 . . . . 0.0 110.428 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 148.24 40.13 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.554 -178.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 70.4 m-85 -139.06 139.25 37.72 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.408 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.3 m -81.91 -4.19 56.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.272 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -134.41 136.38 43.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.583 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -56.4 -41.51 76.42 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.619 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.82 -36.47 76.86 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.354 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -72.76 -34.23 66.86 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.21 -48.92 74.04 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.502 169.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.94 -44.22 82.3 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.679 0.276 . . . . 0.0 110.833 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.14 -47.38 85.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 175.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 57.2 t60 -60.72 -43.19 98.16 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.38 -32.06 47.64 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -54.91 -33.26 61.91 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 122.349 -0.219 . . . . 0.0 110.628 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -42.41 96.5 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.179 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -86.53 -7.3 58.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.455 -173.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.2 p -122.11 -2.96 9.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.561 -171.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.24 5.51 21.56 Favored Glycine 0 CA--C 1.55 2.227 0 C-N-CA 121.515 -0.374 . . . . 0.0 113.079 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.91 118.13 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.8 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -122.39 87.2 48.6 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 83.3 Cg_endo -85.06 -11.99 7.27 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.577 2.185 . . . . 0.0 112.927 -172.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -94.39 127.01 40.0 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.13 141.28 52.19 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.623 0.249 . . . . 0.0 110.943 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.437 ' HB3' ' H ' ' A' ' 74' ' ' ARG . 51.9 t -64.49 148.29 50.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.102 0.477 . . . . 0.0 110.318 174.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -86.21 -3.25 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 -77.06 0.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.782 -169.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.74 -2.43 57.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.618 0.247 . . . . 0.0 111.246 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 58.17 33.39 23.11 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.719 0.408 . . . . 0.0 111.026 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' H ' ' HB3' ' A' ' 69' ' ' CYS . 5.0 mmm180 -72.3 130.8 41.64 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 170.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.09 140.06 33.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.995 0.426 . . . . 0.0 110.846 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.66 157.8 45.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 71.2 m -97.04 -3.15 41.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.478 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -132.82 130.37 39.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -176.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.6 p -63.5 -35.03 79.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.241 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.46 -46.43 79.86 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.953 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.515 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 63.1 m170 -63.85 -39.03 93.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.247 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.9 tt -62.55 -47.09 85.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.404 177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.32 -34.24 76.25 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.3 m -69.65 -49.49 53.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.705 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -60.7 -37.06 80.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -53.87 -39.41 65.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -61.61 -27.82 68.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.481 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 m -54.5 -43.38 71.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 120.574 0.226 . . . . 0.0 111.179 173.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -84.77 -18.43 35.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.948 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.75 -2.85 56.78 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.05 23.19 59.14 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.423 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.82 133.39 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 -174.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -144.37 81.47 11.28 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.43 -23.86 11.15 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.466 2.111 . . . . 0.0 113.08 -171.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.2 m-85 -80.59 79.83 7.14 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.6 m -84.78 140.99 30.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 10.0 t -70.42 161.29 30.78 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -114.89 -84.66 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.513 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 5.6 m95 55.03 176.28 0.04 OUTLIER Pre-proline 0 CA--C 1.577 2.006 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 173.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.67 -33.56 70.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.31 2.007 . . . . 0.0 112.624 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -167.75 75.49 0.14 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 37.9 t -138.08 160.31 39.71 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.063 0.459 . . . . 0.0 111.122 177.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.414 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 21.4 mm-40 -150.38 21.61 0.83 Allowed 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.413 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 1.5 mppt? -62.61 128.2 34.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -108.46 140.6 41.55 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.318 -170.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.3 160.88 32.58 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.57 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.36 -0.93 40.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -133.52 139.13 46.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.651 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.426 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.2 p -61.02 -40.69 94.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.42 -33.63 75.56 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.47 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -60.86 -42.55 98.07 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.2 tp -66.4 -40.12 89.42 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.983 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.13 -46.44 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.74 -46.98 87.26 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.779 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.77 -40.39 75.77 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.816 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -16.4 62.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 0.0 111.059 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 40.8 ttm -105.48 2.01 28.16 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.115 -172.152 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 C5'-C4'-C3' 107.897 -4.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.508 0 O4'-C4'-C3' 109.496 3.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.381 1 C3'-C2'-C1' 97.098 -4.001 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 0 P-O3'-C3' 123.556 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . 0.515 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C4'--C3' 1.557 2.894 0 O4'-C1'-C2' 103.53 -2.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.462 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.531 2.449 0 P-O3'-C3' 123.127 2.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.559 1 P-O3'-C3' 124.513 4.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 0 O4'-C4'-C3' 108.796 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O3'-P-O5' 94.792 -4.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.404 -2.081 1 C5'-C4'-C3' 108.678 -4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.51 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 P--O5' 1.555 -3.786 2 C5'-C4'-C3' 106.236 -5.642 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.51 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.462 3.225 0 C5'-C4'-C3' 110.68 -2.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 7.239 0 P-O3'-C3' 123.339 3.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.654 6.087 2 O3'-P-O5' 95.444 -4.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.446 1 P-O3'-C3' 124.626 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O3'-P-O5' 95.889 -4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.897 0 P-O3'-C3' 123.975 3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 C2'-C3'-O3' 115.7 1.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.081 0 C2'-C3'-O3' 119.108 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.75 1 P-O3'-C3' 125.796 5.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.93 0 O4'-C4'-C3' 109.299 3.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.973 1 P-O3'-C3' 125.896 5.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.379 1 O5'-C5'-C4' 116.647 4.605 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.371 0 O4'-C4'-C3' 109.104 3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 P-O3'-C3' 122.978 2.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 5.037 1 O3'-P-O5' 94.735 -4.876 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.016 2 O4'-C4'-C3' 111.631 6.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.565 0 O4'-C4'-C3' 109.487 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.17 0 O4'-C4'-C3' 108.793 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C4'-C3' 109.32 3.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.047 0 P-O3'-C3' 123.557 3.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.362 0 O4'-C4'-C3' 107.748 2.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.522 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.378 2 O4'-C4'-C3' 110.657 5.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.522 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.557 5.758 0 P-O3'-C3' 123.038 2.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.948 0 CA-C-O 120.665 0.269 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -64.31 105.87 1.0 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.892 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -71.26 -12.59 61.54 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.428 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.08 69.27 1.96 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.901 0.382 . . . . 0.0 110.613 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.93 156.46 51.41 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.34 156.43 58.77 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.548 2.166 . . . . 0.0 111.986 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.53 98.74 8.43 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.136 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.3 ttp -97.73 138.83 34.52 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.38 155.12 15.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.55 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.69 -12.71 12.15 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.43 116.46 40.22 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-O 120.493 0.187 . . . . 0.0 110.577 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -64.56 104.82 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.363 2.042 . . . . 0.0 111.257 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.57 -23.98 2.33 Favored Glycine 0 CA--C 1.539 1.568 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.478 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 10.7 t -126.37 -80.47 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.082 0.553 . . . . 0.0 110.311 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.97 37.67 29.11 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.694 0.398 . . . . 0.0 111.488 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -90.0 162.51 15.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.906 0.384 . . . . 0.0 111.238 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -98.7 141.7 31.19 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 111.425 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -127.83 164.21 22.7 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.197 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.69 -8.14 10.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 72.7 mmtt -125.59 135.53 52.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -47.38 86.7 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.084 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 p -68.14 -35.89 78.81 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -77.09 -35.67 56.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.853 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.4 -36.73 79.55 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.917 169.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -42.73 86.74 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 175.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.7 tpt -61.88 -44.47 96.74 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.487 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -58.11 -36.06 72.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.846 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -59.22 -35.21 73.22 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.546 0.212 . . . . 0.0 110.9 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -56.03 -38.25 70.3 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.36 -32.58 70.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.438 -177.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 27.1 m-70 -77.94 -21.45 51.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p -54.93 -26.3 35.2 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.204 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.01 0.87 89.54 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 121.605 -0.331 . . . . 0.0 112.549 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -127.27 -3.2 6.26 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.65 0.38 . . . . 0.0 111.213 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -63.28 111.53 5.22 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 122.52 0.328 . . . . 0.0 110.421 178.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.78 128.9 14.74 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.369 2.046 . . . . 0.0 113.34 -169.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.407 ' CE1' ' HE3' ' A' ' 35' ' ' LYS . 97.2 m-85 -127.13 174.21 9.09 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.286 169.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -132.54 150.85 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.142 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 42.5 t -44.61 126.68 5.65 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -88.12 14.21 9.66 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.24 -9.89 58.86 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.024 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.33 -56.79 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.315 0.646 . . . . 0.0 110.885 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.42 46.08 1.31 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.876 0.369 . . . . 0.0 110.796 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 53.9 t -144.49 166.18 25.85 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 178.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 2.7 tp10 -141.79 22.21 2.13 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -175.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.77 129.58 36.84 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.79 0.329 . . . . 0.0 110.341 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -95.21 156.64 16.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.4 m-85 -135.66 164.75 27.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.2 p -107.8 4.66 25.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -163.8 155.42 16.72 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.752 0.31 . . . . 0.0 110.694 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -44.17 81.9 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.6 -42.8 75.36 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.324 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.24 -37.37 66.38 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.089 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.43 ' CD1' ' HA ' ' A' ' 39' ' ' CYS . 15.1 tp -64.06 -48.56 75.75 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.795 0.331 . . . . 0.0 110.563 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -58.71 -42.57 88.95 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.572 0.349 . . . . 0.0 110.967 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.01 -45.17 91.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.3 t60 -60.87 -36.91 80.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.259 -179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -53.37 -38.09 63.02 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.475 0.179 . . . . 0.0 110.786 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.53 -33.21 63.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.961 -0.109 . . . . 0.0 111.217 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.49 -35.92 82.5 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.167 0.187 . . . . 0.0 111.222 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -82.51 -43.96 16.53 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -73.77 -25.31 60.09 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.01 2.38 86.85 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-N 116.562 -0.29 . . . . 0.0 112.476 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.41 130.77 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.114 0.483 . . . . 0.0 111.052 -174.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -129.55 80.43 71.88 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.141 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.6 -8.85 17.2 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.731 2.288 . . . . 0.0 112.825 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -96.92 75.16 2.66 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.737 0.304 . . . . 0.0 110.594 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.494 ' NE2' ' H ' ' A' ' 68' ' ' GLN . 1.9 pm0 -91.1 136.41 33.1 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -64.69 129.56 40.26 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.232 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -9.11 15.29 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.624 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 -60.52 1.52 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.288 0.235 . . . . 0.0 110.907 -175.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.03 1.66 13.3 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.408 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.09 14.58 9.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 122.787 0.435 . . . . 0.0 111.772 178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -51.59 108.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 170.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -87.87 135.62 33.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.44 -170.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -132.14 161.4 33.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -108.41 2.2 22.24 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -137.51 120.71 16.8 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.941 -174.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -54.45 -35.38 62.95 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.57 -46.28 83.46 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 120.663 0.268 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 66.0 m170 -63.69 -36.37 83.63 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.949 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 tt -67.14 -47.11 72.05 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.65 -34.28 72.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.865 0.365 . . . . 0.0 110.555 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.4 m -70.41 -49.66 46.66 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.6 -30.45 71.56 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.0 m -54.08 -40.69 67.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.719 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -62.0 -23.14 66.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.122 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -54.59 -41.28 69.71 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.63 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -94.89 -26.3 16.22 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.114 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.5 m -91.48 -6.22 52.97 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.32 -17.14 1.97 Allowed Glycine 0 CA--C 1.551 2.313 0 C-N-CA 121.32 -0.467 . . . . 0.0 113.283 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.19 95.58 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.968 0.413 . . . . 0.0 110.855 -175.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.21 92.87 37.35 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -82.73 -21.31 5.05 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.517 2.145 . . . . 0.0 113.514 -169.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 89.5 m-85 -83.39 79.04 9.54 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -88.69 144.48 26.25 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.929 0.395 . . . . 0.0 111.185 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 32.6 t -70.41 152.81 43.66 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -121.39 11.9 10.79 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.083 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -65.78 159.22 70.71 Favored Pre-proline 0 CA--C 1.556 1.182 0 CA-C-O 120.634 0.254 . . . . 0.0 110.685 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.98 -33.88 54.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 C-N-CA 123.112 2.541 . . . . 0.0 113.533 -171.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.4 p -149.73 87.18 1.48 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.694 0.283 . . . . 0.0 110.538 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.1 t -160.97 -77.51 0.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 57.05 37.67 28.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 169.8 7.29 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -128.78 140.74 51.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.562 0.22 . . . . 0.0 111.107 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.32 154.95 46.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.657 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.05 -4.37 52.58 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -133.1 139.27 47.03 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.13 0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.5 p -57.19 -46.23 83.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.63 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.43 -33.69 76.28 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.412 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.0 tp -63.11 -45.09 93.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.681 174.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.93 -41.43 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.526 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -65.83 -46.87 76.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.48 -49.66 69.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.788 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.08 -39.1 74.31 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.938 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -16.96 63.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.8 mtt -110.52 6.62 22.13 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.959 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.344 0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 111.0 -173.291 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.171 0 C5'-C4'-C3' 111.486 -2.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.025 0 O4'-C1'-C2' 104.044 -1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 97.37 -3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.797 0 P-O3'-C3' 123.248 2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 0 C3'-C2'-C1' 99.675 -2.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.43 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.538 3.328 0 O4'-C1'-C2' 102.114 -3.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 1 P-O3'-C3' 124.575 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.249 0 O4'-C4'-C3' 109.242 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.652 3.763 0 O4'-C4'-C3' 109.56 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.394 -4.684 2 O4'-C1'-C2' 100.488 -5.102 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.913 6 C5'-C4'-O4' 118.467 5.667 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.583 8.955 2 C5'-C4'-C3' 105.692 -6.005 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.84 3 O4'-C4'-C3' 110.992 5.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.279 2 O3'-P-O5' 93.452 -5.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 P-O3'-C3' 125.749 5.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 0 O3'-P-O5' 97.528 -3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.874 0 P-O3'-C3' 124.003 3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C4'-C3' 108.288 2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.631 1 O4'-C4'-C3' 110.031 4.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.948 1 P-O3'-C3' 125.648 4.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.404 1 O4'-C4'-C3' 109.636 4.036 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.168 1 P-O3'-C3' 124.72 4.183 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.194 1 P-O3'-C3' 125.07 4.475 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.24 0 O4'-C4'-C3' 109.484 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O3'-P-O5' 98.084 -3.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O3'-P-O5' 97.202 -3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.48 0 O4'-C4'-C3' 109.376 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 0 P-O3'-C3' 124.244 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.609 0 C5'-C4'-O4' 114.133 2.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O3'-P-O5' 97.826 -3.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C4'-C3' 108.917 3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.825 2 O4'-C4'-C3' 110.498 4.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.524 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 P-O3'-C3' 123.768 3.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.524 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 98.544 -2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.588 0.232 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -64.1 -15.21 59.14 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -81.93 -14.49 56.05 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.404 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -81.3 54.18 2.23 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -153.22 76.27 6.39 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -80.15 160.97 23.46 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.74 2.293 . . . . 0.0 112.243 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 58.6 m-85 -133.5 174.06 10.82 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.914 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -136.29 153.77 51.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.73 0.3 . . . . 0.0 110.542 169.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 15.4 t -67.66 161.58 25.52 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.8 172.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -106.8 -35.91 6.83 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.472 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -53.63 134.86 54.6 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 122.286 0.234 . . . . 0.0 111.399 -172.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.87 65.08 4.04 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.158 2.572 . . . . 0.0 112.48 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.53 -10.57 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.24 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.0 t -125.46 -79.78 0.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.641 0.376 . . . . 0.0 110.048 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.4 21.23 5.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.01 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -179.41 4.14 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.53 157.54 16.17 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.336 0.589 . . . . 0.0 111.487 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -145.02 170.42 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.35 -175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' LYS . 9.5 t80 -108.72 -126.84 0.26 Allowed 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PHE . 92.5 mttt -11.37 106.37 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.385 1.074 . . . . 0.0 112.625 174.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.3 pt? -47.36 -43.86 23.48 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -177.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -67.99 -36.04 79.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.696 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.26 92.49 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.135 171.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.23 -38.73 90.34 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 122.349 -0.219 . . . . 0.0 110.472 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.9 tpt -64.61 -46.06 84.22 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.705 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -57.83 -44.25 86.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.036 0.446 . . . . 0.0 109.813 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -58.93 -35.16 72.63 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.649 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.8 tpt85 -58.88 -38.5 78.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.876 -0.147 . . . . 0.0 110.751 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.57 -35.03 71.75 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.452 0.168 . . . . 0.0 110.975 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -75.56 -21.42 57.89 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.273 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p -62.17 -14.69 40.14 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.673 171.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.88 55.49 0.55 Allowed Glycine 0 CA--C 1.533 1.158 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 112.3 3.9 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -174.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -130.64 85.64 55.28 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.158 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -84.9 173.39 8.18 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.861 2.374 . . . . 0.0 112.828 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.91 160.82 34.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.539 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.95 151.79 52.01 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.651 172.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.99 162.66 27.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 170.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -141.13 74.98 1.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.143 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -129.96 161.9 29.85 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.966 -173.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.8 -17.54 64.55 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.838 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -125.8 8.37 7.51 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.534 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.2 t -152.4 138.52 18.26 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 121.339 0.59 . . . . 0.0 112.032 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -142.99 33.2 1.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.023 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -83.64 157.87 22.08 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.409 -170.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.11 151.48 30.77 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.189 0.519 . . . . 0.0 111.15 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.31 139.43 35.44 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.061 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 p -86.4 4.09 40.91 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -173.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -143.97 140.85 29.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -44.55 78.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.685 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -58.18 -42.56 86.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -63.54 -48.77 76.13 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.857 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.63 -49.4 77.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 120.624 0.25 . . . . 0.0 110.695 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.99 -41.69 97.43 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.158 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -62.04 -47.43 84.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.777 0.322 . . . . 0.0 110.199 172.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -60.72 -36.78 79.71 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.041 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -53.11 -38.32 62.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.081 177.804 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -55.32 -32.96 62.9 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.035 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.86 -33.51 64.61 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.562 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.46 ' CE1' ' HA ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -91.95 -40.69 10.99 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.561 0.219 . . . . 0.0 111.043 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.0 p -79.42 -10.55 59.83 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.395 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.81 4.74 48.76 Favored Glycine 0 CA--C 1.544 1.905 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.195 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.82 120.15 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.778 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -123.34 71.68 46.63 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.89 -21.24 12.61 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.695 2.263 . . . . 0.0 112.928 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -81.44 76.38 8.37 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 47.8 tt0 -90.87 135.99 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.777 0.322 . . . . 0.0 111.175 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.19 124.4 22.53 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 172.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.67 -9.85 55.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.171 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -70.62 0.67 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.349 0.259 . . . . 0.0 110.848 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.9 p -93.3 -5.78 48.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.477 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 68.51 21.2 8.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.902 0.481 . . . . 0.0 111.244 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -72.4 117.06 13.59 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 120.753 0.311 . . . . 0.0 110.584 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 96.9 mttt -87.81 137.9 31.93 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.83 158.87 39.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.7 m -102.49 -3.18 27.28 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.311 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -133.6 138.12 45.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.998 0.428 . . . . 0.0 110.862 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 p -68.28 -35.83 78.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.11 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.62 -41.72 98.25 Favored 'General case' 0 CA--C 1.568 1.656 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.419 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.2 m-70 -63.48 -47.5 81.52 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 172.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.53 -47.64 85.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.967 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.81 -36.93 85.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.7 m -65.16 -50.03 67.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.533 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.51 -38.49 91.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.718 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.4 m -54.21 -41.62 68.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -64.37 -22.93 67.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.096 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 m -54.4 -41.15 68.93 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.31 0.244 . . . . 0.0 110.971 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -76.25 -18.61 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.614 0.245 . . . . 0.0 111.06 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 p -96.09 -6.23 39.0 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.26 7.63 33.05 Favored Glycine 0 CA--C 1.557 2.668 0 C-N-CA 121.593 -0.337 . . . . 0.0 112.823 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.43 103.61 4.85 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -119.98 91.59 45.75 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.221 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.06 -20.84 4.13 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.554 2.169 . . . . 0.0 113.058 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.6 m-85 -81.48 75.46 8.44 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -176.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.6 t -78.92 145.92 33.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.07 154.76 41.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 3.7 12.0 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.989 -176.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . 0.404 ' C ' ' H ' ' A' ' 101' ' ' SER . 13.9 m95 -65.91 147.38 98.81 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 120.747 0.308 . . . . 0.0 110.735 -179.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.54 28.64 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.996 2.464 . . . . 0.0 112.862 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 99' ' ' TRP . 58.6 m -163.35 20.55 0.08 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.083 178.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.3 t -146.52 168.33 21.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.229 0.538 . . . . 0.0 111.168 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.2 tp-100 -166.09 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.209 170.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -72.42 145.33 47.73 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.037 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -118.61 140.35 50.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -171.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.72 162.71 23.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.698 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.04 -6.44 38.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -133.58 143.66 48.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.254 0.549 . . . . 0.0 111.034 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.419 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 p -60.52 -43.16 97.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.921 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -67.43 -33.78 75.88 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.425 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.73 -42.43 97.3 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.99 -40.37 91.12 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.949 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.13 -47.53 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.216 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.21 -46.73 88.75 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -57.29 -45.15 84.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.096 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.33 -33.33 67.61 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.91 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.66 63.01 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.193 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 43.5 mtt -86.94 -1.05 57.55 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.296 0.238 . . . . 0.0 111.054 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 C--N 1.345 0.391 0 CA-C-O 120.676 0.275 . . . . 0.0 110.434 177.362 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.52 0 C3'-C2'-C1' 97.399 -3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C4'-C3' 108.96 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.304 1 O5'-C5'-C4' 116.239 4.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.822 0 O3'-P-O5' 98.386 -2.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 2 O4'-C4'-C3' 110.977 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.419 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.185 0 C4'-C3'-C2' 100.34 -2.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 1 O4'-C4'-C3' 110.552 4.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.899 1 O4'-C1'-C2' 101.533 -4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C4'-C3' 111.207 5.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . 0.467 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.646 5.309 0 C5'-C4'-C3' 108.814 -3.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.467 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 1 P--O5' 1.642 4.929 1 C5'-C4'-C3' 107.883 -4.545 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.533 0 O4'-C1'-C2' 101.743 -3.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O3'-P-O5' 96.064 -4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C4'-C3' 109.36 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.085 0 P-O3'-C3' 123.499 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 1 P-O3'-C3' 124.864 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.918 1 P-O3'-C3' 124.79 4.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.852 0 O4'-C4'-C3' 107.782 2.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.769 0 C5'-C4'-O4' 115.265 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 1 P-O3'-C3' 125.95 5.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 O4'-C4'-C3' 108.5 2.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.206 1 P-O3'-C3' 125.198 4.582 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.533 1 P-O3'-C3' 125.181 4.568 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.327 1 P-O3'-C3' 125.316 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 1 O4'-C4'-C3' 109.624 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.21 0 O3'-P-O5' 97.291 -3.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.297 0 C5'-C4'-C3' 109.028 -3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.574 -2.76 2 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.854 0 O3'-P-O5' 99.34 -2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.865 0 O3'-P-O5' 98.627 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.424 1 P-O3'-C3' 126.687 5.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 1 C5'-C4'-C3' 106.938 -5.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.557 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C4'-C3' 111.177 5.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.557 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.516 0 C3'-C2'-C1' 98.828 -2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.578 0.227 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -167.78 155.94 9.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.741 0.305 . . . . 0.0 110.747 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.67 -21.76 62.56 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.175 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -135.63 155.72 49.99 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.161 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -125.38 157.73 66.74 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.324 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.22 -62.38 0.37 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.866 2.377 . . . . 0.0 113.114 -174.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.02 157.01 38.97 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 120.398 0.142 . . . . 0.0 111.006 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mtp -136.18 157.34 47.06 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 49.7 t -72.03 169.52 15.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.22 169.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.463 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -142.13 8.32 1.84 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.791 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CD1' ' HB3' ' A' ' 31' ' ' HIS . 45.9 t80 -74.35 138.99 74.89 Favored Pre-proline 0 CA--C 1.551 0.998 0 O-C-N 122.185 -0.322 . . . . 0.0 110.393 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.88 84.42 0.52 Allowed 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.715 2.277 . . . . 0.0 112.15 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 2.24 0.89 Allowed Glycine 0 CA--C 1.545 1.932 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.553 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 t -131.6 -74.79 0.52 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.78 0.29 . . . . 0.0 110.859 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 39.95 58.17 2.19 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 122.868 0.467 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' H ' ' HB3' ' A' ' 9' ' ' CYS . 48.4 mttp -97.65 -177.55 3.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.435 174.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 142.45 50.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.069 0.462 . . . . 0.0 111.739 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -129.76 169.69 14.8 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.45 -176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -118.05 -14.67 9.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.611 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -130.14 129.96 44.16 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.411 0.284 . . . . 0.0 110.75 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -57.84 -47.6 82.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.391 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -67.9 -46.51 71.4 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.913 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -30.24 69.48 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.547 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.1 -40.54 64.89 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 122.195 -0.316 . . . . 0.0 111.015 170.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -58.05 -38.47 76.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.83 -44.84 92.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.706 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -58.01 -39.05 77.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.238 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -59.18 -27.84 66.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.529 ' NH1' ' H61' ' C' ' 145' ' ' ' DA' . 42.2 mtp85 -55.39 -38.46 68.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -56.34 -33.54 65.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.09 177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 41.8 m-70 -89.62 -33.01 16.83 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.2 p -52.49 -32.83 42.08 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.85 0.357 . . . . 0.0 110.05 173.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 70.04 0.51 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.99 94.52 0.64 Allowed 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.994 0.426 . . . . 0.0 110.409 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 37.75 57.27 4.49 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 124.641 1.176 . . . . 0.0 113.389 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 49' ' ' SER . 38.8 Cg_endo -89.84 -25.49 0.49 Allowed 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.697 2.264 . . . . 0.0 113.019 174.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -82.53 89.71 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 -174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.48 140.13 30.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -63.79 156.5 27.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 169.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.14 20.79 4.46 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -65.56 166.24 10.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 121.093 0.473 . . . . 0.0 110.897 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -64.66 -16.41 62.77 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.07 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.38 24.97 1.11 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.1 t -137.64 145.53 42.8 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 121.22 0.533 . . . . 0.0 111.287 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.74 29.76 0.91 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.2 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -67.91 142.02 56.19 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.25 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -108.59 131.47 54.83 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.33 164.62 15.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.429 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -93.02 -37.96 11.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.347 -175.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.5 mtm-85 -111.68 153.1 26.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.151 0.5 . . . . 0.0 111.195 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.85 82.64 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.614 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.46 -35.15 80.05 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.382 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.488 HE21 ' NH2' ' A' ' 50' ' ' ARG . 88.5 mt-30 -64.27 -48.95 73.75 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 176.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.12 -43.43 98.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.05 -45.86 91.67 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.557 0.217 . . . . 0.0 110.883 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.69 -44.02 90.16 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.685 0.278 . . . . 0.0 110.286 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -60.73 -42.24 96.93 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -53.46 -30.62 41.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.301 0.24 . . . . 0.0 111.456 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -54.96 -33.05 62.02 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 120.495 0.188 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -57.91 -44.63 86.93 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.362 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -80.62 -25.97 38.05 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.704 0.288 . . . . 0.0 111.321 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -97.29 -1.41 44.74 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.294 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.17 11.86 28.17 Favored Glycine 0 CA--C 1.547 2.063 0 C-N-CA 121.704 -0.284 . . . . 0.0 113.307 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.1 131.77 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-O 121.128 0.49 . . . . 0.0 111.188 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.24 78.05 65.14 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.267 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -85.46 -20.51 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.658 2.238 . . . . 0.0 112.961 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 97.6 m-85 -78.03 84.88 4.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.686 0.279 . . . . 0.0 110.748 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -90.42 141.55 28.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 111.186 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.18 148.96 48.84 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.675 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.18 -8.04 58.78 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.68 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.22 -79.03 0.58 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.806 -173.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.4 p -81.13 -10.36 59.67 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.514 0.197 . . . . 0.0 111.168 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 67.84 29.21 6.78 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.968 0.507 . . . . 0.0 111.504 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.13 129.97 40.29 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 120.661 0.267 . . . . 0.0 110.461 170.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -89.09 145.13 25.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -141.85 167.51 21.97 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.525 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -104.24 -5.66 21.67 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -142.89 119.64 11.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.756 0.312 . . . . 0.0 111.07 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.406 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 10.1 p -61.58 -20.64 63.52 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.7 -37.74 73.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.413 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 62.9 m170 -73.84 -31.17 63.07 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.643 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.37 -47.79 69.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.523 0.202 . . . . 0.0 110.839 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.74 -37.36 86.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.827 0.346 . . . . 0.0 110.428 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.3 m -63.35 -49.49 73.7 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.539 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -64.11 -31.42 72.61 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -54.07 -38.25 65.1 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 122.821 0.448 . . . . 0.0 110.644 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -61.49 -22.57 65.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.947 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.2 m -54.48 -42.93 71.29 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.134 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.84 25.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.841 0.353 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -91.76 -3.09 56.6 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.201 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 52.51 20.1 7.07 Favored Glycine 0 CA--C 1.549 2.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 112.408 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.95 88.77 4.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.859 0.361 . . . . 0.0 111.017 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -112.56 80.81 3.81 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.29 -19.94 5.23 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.748 2.298 . . . . 0.0 112.949 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.3 m-85 -80.26 77.28 7.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.995 0.426 . . . . 0.0 110.743 -176.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 47.6 t -78.77 146.14 33.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.746 177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.2 155.33 40.79 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.056 170.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.46 8.05 8.36 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.673 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -63.63 151.53 88.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.668 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 4.9 2.08 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.824 2.349 . . . . 0.0 113.303 -173.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.3 p -146.81 36.18 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.833 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.422 ' SG ' ' HE3' ' A' ' 104' ' ' LYS . 25.1 t -145.76 165.51 28.6 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.212 0.53 . . . . 0.0 111.313 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -160.29 21.22 0.15 Allowed 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.31 173.176 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 42.1 mtmt -77.58 146.9 35.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -128.46 143.55 51.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.056 0.455 . . . . 0.0 111.272 -170.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.44 160.11 31.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.649 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.58 2.19 52.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.166 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -134.3 138.67 45.14 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.166 0.508 . . . . 0.0 110.823 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.405 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 3.0 p -59.18 -44.01 92.18 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.927 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.52 -33.78 75.77 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -60.75 -41.35 95.25 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.15 -40.59 86.72 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.981 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -44.99 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 120.681 0.277 . . . . 0.0 110.268 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.79 -46.84 83.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.363 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.97 -46.14 75.05 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.118 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -57.38 -33.64 68.03 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.865 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -18.52 65.21 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.207 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 49.8 mtt -77.51 -19.16 56.27 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.492 0.187 . . . . 0.0 110.919 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.345 0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 177.231 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 0 O4'-C4'-C3' 108.783 3.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.774 0 C5'-C4'-O4' 103.155 -3.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.569 1 O4'-C1'-C2' 99.969 -5.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.6 5.67 2 O4'-C4'-C3' 110.43 4.83 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.132 3 C1'-O4'-C4' 102.484 -5.154 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.413 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.733 0 P-O3'-C3' 124.265 3.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.255 1 C5'-C4'-C3' 108.176 -4.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.279 0 P-O3'-C3' 124.367 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.959 0 P-O3'-C3' 124.464 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 0 O4'-C1'-C2' 103.09 -2.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.887 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.517 1 O4'-C1'-C2' 101.373 -4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.412 1 P-O3'-C3' 125.316 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C4'-C3'-C2' 99.924 -3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.353 1 O3'-P-O5' 95.528 -4.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O3'-P-O5' 97.289 -3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.053 0 P-O3'-C3' 123.735 3.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.757 0 O4'-C4'-C3' 109.185 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 C2'-C3'-O3' 118.739 3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.46 3 O4'-C4'-C3' 110.197 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.235 0 O3'-P-O5' 96.611 -3.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . 0.529 ' H61' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.812 1 P-O3'-C3' 124.588 4.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.395 -4.591 1 O5'-C5'-C4' 119.566 6.69 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O3'-P-O5' 97.278 -3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.637 2.527 0 P-O3'-C3' 123.084 2.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.149 2 O3'-P-O5' 94.949 -4.763 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.334 1 O4'-C4'-C3' 110.864 5.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.571 3.573 2 O4'-C1'-C2' 100.477 -5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 O4'-C4'-C3' 109.266 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.11 1 O4'-C4'-C3' 111.075 5.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.391 -5.01 0 O4'-C1'-C2' 110.478 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 1 P-O3'-C3' 124.916 4.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.555 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.399 -1.639 1 O4'-C4'-C3' 110.5 4.9 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.555 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.677 0 P-O3'-C3' 122.513 2.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 CA-C-O 120.321 0.105 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 73.85 -47.85 0.66 Allowed 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.37 0.668 . . . . 0.0 111.535 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 67.32 -63.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.259 0.624 . . . . 0.0 110.799 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 130.34 39.27 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -143.73 158.39 56.64 Favored Pre-proline 0 N--CA 1.474 0.732 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.395 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.34 112.57 3.48 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.482 2.122 . . . . 0.0 112.617 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -129.99 142.66 50.6 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.594 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.45 148.59 47.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.5 t -71.42 173.57 7.71 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.971 169.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -140.68 4.26 1.92 Allowed 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -69.81 135.17 87.83 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -56.09 -19.16 25.64 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.864 2.376 . . . . 0.0 113.721 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.24 58.03 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 121.38 -0.438 . . . . 0.0 112.675 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -137.49 -92.28 0.23 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.567 0.183 . . . . 0.0 110.973 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.73 39.47 20.9 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.807 0.337 . . . . 0.0 111.14 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.84 166.13 12.34 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.909 0.385 . . . . 0.0 111.238 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 130.47 46.89 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.195 0.521 . . . . 0.0 111.464 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.6 166.26 11.91 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.376 1.07 . . . . 0.0 110.598 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -120.53 -15.18 8.54 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.763 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 3.9 mmpt? -120.89 132.24 54.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.688 0.28 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.95 -50.15 74.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.807 0.337 . . . . 0.0 110.547 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 p -68.09 -36.09 79.23 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.44 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.58 -39.02 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.524 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.05 -35.34 78.07 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.19 171.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -42.59 98.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.21 -43.33 95.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -58.03 -43.74 86.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 110.377 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -58.99 -29.93 67.59 Favored 'General case' 0 CA--C 1.524 -0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.84 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.32 -38.43 68.7 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.577 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.48 -35.7 68.27 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -89.72 -13.74 36.21 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.2 p -58.87 -37.59 76.9 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.241 -170.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.74 26.12 24.56 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.451 -0.341 . . . . 0.0 112.546 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -66.76 -14.36 62.49 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.878 0.339 . . . . 0.0 111.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.65 92.88 12.95 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 122.319 0.248 . . . . 0.0 110.964 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.46 169.01 20.6 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.616 2.211 . . . . 0.0 112.641 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -137.31 163.82 30.07 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.518 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.82 147.42 52.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 t -75.16 169.95 17.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -129.9 2.08 4.85 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.976 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -64.23 152.13 41.72 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -55.95 -62.86 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.367 -172.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.83 47.53 1.46 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.921 0.391 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -146.05 -107.22 0.1 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 67.78 32.3 5.4 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.002 0.43 . . . . 0.0 110.298 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' NH2' HH21 ' A' ' 60' ' ' ARG . 70.9 mtt85 -90.06 149.94 22.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 154.14 23.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.236 0.541 . . . . 0.0 111.067 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.8 m-85 -140.21 164.79 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.658 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -105.95 -8.06 17.82 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' NH2' HE21 ' A' ' 53' ' ' GLN . 92.9 mtm-85 -141.34 156.3 45.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.105 0.479 . . . . 0.0 111.16 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -44.63 91.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.489 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -34.36 77.76 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.297 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.494 HE21 ' NH2' ' A' ' 50' ' ' ARG . 78.7 mt-30 -62.86 -50.35 71.25 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 66.4 tp -62.07 -45.92 91.39 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.831 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.26 -40.19 93.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.25 0.22 . . . . 0.0 111.27 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -61.79 -44.39 96.96 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 3.1 t60 -60.74 -38.13 84.13 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -53.3 -31.67 45.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.24 0.216 . . . . 0.0 111.308 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 14.4 mmp_? -55.03 -32.93 62.24 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.406 0.146 . . . . 0.0 110.845 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.482 HH21 ' NH2' ' A' ' 46' ' ' ARG . 51.1 ttt85 -55.73 -41.61 74.14 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.428 0.291 . . . . 0.0 111.42 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.97 -45.83 13.63 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.695 0.284 . . . . 0.0 110.782 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -76.2 -9.47 58.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.631 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.62 1.42 23.15 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.724 -0.274 . . . . 0.0 112.895 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.476 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 66.1 t -71.21 108.78 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.984 0.421 . . . . 0.0 110.901 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -117.67 85.48 21.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.035 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -85.78 -20.28 3.09 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.671 2.247 . . . . 0.0 113.068 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -79.09 74.66 5.63 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.553 0.216 . . . . 0.0 110.633 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 45.1 tt0 -91.06 130.61 36.94 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.821 0.343 . . . . 0.0 111.345 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.74 124.26 21.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.317 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.84 -11.75 60.81 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.265 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -72.92 0.43 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.29 -8.51 35.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.597 -173.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 72.14 21.33 3.98 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.868 0.467 . . . . 0.0 111.127 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 106.92 1.27 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.595 171.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 1.3 ptpm? -87.88 126.27 34.95 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.11 -177.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.09 162.36 18.32 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.72 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 p -103.41 1.7 32.89 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.177 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -140.18 143.5 36.13 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 p -68.27 -33.84 75.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.043 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -66.72 -38.28 86.38 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 120.553 0.216 . . . . 0.0 111.192 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.422 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 56.9 m170 -71.31 -37.79 71.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.554 174.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.5 -46.47 82.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.531 0.205 . . . . 0.0 110.849 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.51 -34.33 77.98 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.683 0.278 . . . . 0.0 110.602 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.4 m -66.38 -49.58 66.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.491 175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.72 -34.12 76.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.011 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -54.27 -41.19 68.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.612 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -62.22 -24.22 67.11 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.272 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 p -68.9 -34.38 75.32 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.365 0.126 . . . . 0.0 110.932 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -83.1 -20.24 35.23 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.775 0.321 . . . . 0.0 110.671 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -91.83 -6.15 52.16 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.19 53.26 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.349 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.93 108.04 15.97 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -124.03 80.98 57.25 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.38 -22.96 3.67 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.723 2.282 . . . . 0.0 112.893 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.2 m-85 -76.19 77.23 3.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.988 0.423 . . . . 0.0 110.677 -177.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -82.91 142.46 31.42 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 102' ' ' CYS . 21.7 t -70.45 160.42 32.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.113 0.483 . . . . 0.0 110.947 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -120.73 6.55 10.47 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.919 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -68.59 162.65 61.03 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.78 106.33 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 123.079 2.519 . . . . 0.0 113.171 -174.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.5 t 61.75 20.7 11.61 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 38.4 t -73.69 156.08 38.3 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.004 0.431 . . . . 0.0 110.745 176.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -146.92 22.61 1.23 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.839 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -77.87 132.74 38.11 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -128.42 138.0 52.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.82 162.42 25.18 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.823 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.11 1.99 39.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -135.91 135.08 39.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.066 0.46 . . . . 0.0 110.484 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.428 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 4.2 p -57.51 -43.3 84.14 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -67.32 -33.49 75.38 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.57 -41.74 95.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.11 -41.4 90.64 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.857 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.2 -42.43 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.65 -46.94 83.36 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.344 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -54.37 -48.6 71.32 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.789 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.69 -39.73 74.34 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -71.74 -15.62 62.19 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.188 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.3 mtm -106.73 3.43 26.61 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 122.232 0.213 . . . . 0.0 110.991 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.328 0 CA-C-O 120.731 0.301 . . . . 0.0 111.027 -172.268 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 C5'-C4'-C3' 109.645 -3.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.754 0 O3'-P-O5' 99.768 -2.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-C2' 101.531 -4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.58 0 C5'-C4'-O4' 103.592 -3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 C1'-O4'-C4' 105.854 -2.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ' DG' . . . . . 0.422 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.412 -3.125 0 O4'-C1'-C2' 102.586 -3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 2 O4'-C4'-C3' 111.825 6.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.817 0 O4'-C1'-C2' 102.222 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 1 O4'-C4'-C3' 109.8 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.305 2 O3'-P-O5' 94.774 -4.856 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ' DT' . . . . . 0.425 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.389 -5.194 2 C5'-C4'-C3' 107.544 -4.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.384 -5.592 2 O5'-C5'-C4' 118.961 6.258 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.949 1 O4'-C4'-C3' 109.748 4.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.217 2 P-O3'-C3' 124.802 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 2 P-O3'-C3' 125.329 4.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.05 2 O4'-C4'-C3' 109.997 4.397 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 1 P-O3'-C3' 125.341 4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.928 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.942 0 O4'-C4'-C3' 109.175 3.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.891 1 O3'-P-O5' 95.814 -4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.62 1 O4'-C4'-C3' 110.566 4.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.684 2 C4'-C3'-C2' 98.222 -4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.176 1 O5'-C5'-C4' 118.089 5.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 0 O4'-C4'-C3' 108.754 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 0 C5'-C4'-C3' 109.021 -3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.806 1 C4'-C3'-C2' 98.419 -4.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.294 1 O4'-C4'-C3' 110.399 4.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.718 0 P-O3'-C3' 122.579 2.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 0 O4'-C4'-C3' 108.095 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.653 0 O4'-C4'-C3' 108.697 3.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.905 0 P-O3'-C3' 124.102 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.7 0 O4'-C4'-C3' 109.599 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 156' ' ' ' DC' . . . . . 0.505 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.192 0 O4'-C4'-C3' 109.164 3.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 157' ' ' ' DG' . . . . . 0.505 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.542 0 O4'-C4'-C3' 108.467 2.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.6 158.69 43.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.197 0.522 . . . . 0.0 112.12 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 40.7 t -119.3 165.29 14.46 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.051 168.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.28 -3.87 7.4 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 56.3 t80 -75.07 143.86 78.13 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 120.601 0.239 . . . . 0.0 110.763 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.37 149.31 23.38 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.764 2.31 . . . . 0.0 112.875 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.54 9.43 18.11 Favored Glycine 0 CA--C 1.559 2.808 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.747 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 49.0 t -88.41 171.03 10.42 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 117.466 0.633 . . . . 0.0 110.56 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 40.8 t30 -68.24 -34.85 76.98 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.378 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.5 mttp 66.41 14.53 9.75 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 122.999 0.52 . . . . 0.0 111.469 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -148.71 127.13 12.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.265 171.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.746 ' CD1' HD23 ' A' ' 24' ' ' LEU . 71.1 m-85 -126.89 164.55 21.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.695 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.09 -14.06 9.94 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.787 -171.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 18.8 mmtm -127.62 129.14 46.73 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.832 0.349 . . . . 0.0 110.45 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.05 -57.16 11.34 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -67.87 -35.66 78.92 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.77 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.23 -40.95 98.9 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.087 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -69.55 -37.87 77.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 173.611 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.98 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.999 -0.438 . . . . 0.0 110.353 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.0 tpt -60.08 -41.23 92.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.1 t60 -57.86 -43.24 85.82 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.272 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -59.31 -38.06 79.3 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.037 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -38.12 73.51 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.56 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.17 -38.43 70.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.215 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 21.7 m-70 -80.92 -23.39 38.94 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 -172.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 175.748 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 54' ' ' LEU . 34.6 m-85 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.626 0.251 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -132.65 154.92 49.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.605 171.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 CA--C 1.542 0.67 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 179.091 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -124.24 155.74 38.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.126 0.489 . . . . 0.0 110.959 -177.227 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.7 m-85 -138.62 164.83 28.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.074 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 p -105.26 4.63 31.27 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.502 ' HG2' ' H ' ' A' ' 52' ' ' ASP . 22.5 ttp180 -164.18 158.08 18.69 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.798 0.332 . . . . 0.0 111.059 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -39.46 83.0 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 175.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' H ' ' HG2' ' A' ' 50' ' ' ARG . 28.1 t0 -65.53 -40.57 93.08 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.88 73.05 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.727 0.299 . . . . 0.0 110.603 175.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.7 tp -60.99 -46.45 90.68 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -58.84 -46.25 88.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.735 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.44 -46.05 84.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.619 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.69 -40.94 94.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.767 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -54.0 -38.43 65.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.092 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -55.72 -33.33 64.13 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 122.376 -0.203 . . . . 0.0 111.125 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.501 ' HG3' HH11 ' A' ' 60' ' ' ARG . 1.0 OUTLIER -68.15 -31.87 71.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.015 0.126 . . . . 0.0 111.193 179.052 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -85.3 -33.62 22.06 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.1 p -94.38 -12.85 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.579 -171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.43 13.08 73.81 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 121.575 -0.345 . . . . 0.0 112.471 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.423 HG12 ' HD3' ' A' ' 66' ' ' PRO . 35.2 t -67.41 105.95 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.026 0.441 . . . . 0.0 110.957 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.67 82.49 41.32 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.177 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 64' ' ' VAL . 82.0 Cg_endo -85.27 -18.88 3.92 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.636 2.224 . . . . 0.0 112.983 -172.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.496 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.9 m-85 -80.89 84.6 6.35 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.628 0.251 . . . . 0.0 110.762 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -90.37 130.22 36.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.037 0.446 . . . . 0.0 110.991 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.432 ' SG ' ' HE3' ' A' ' 70' ' ' LYS . 19.4 t -64.62 124.47 21.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.867 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -57.83 -24.92 59.68 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.719 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -62.79 1.19 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.609 0.243 . . . . 0.0 110.816 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.26 -19.0 61.16 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.678 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 62.61 8.92 3.19 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.572 0.349 . . . . 0.0 111.002 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -69.25 122.43 18.82 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.494 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.86 124.5 33.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.916 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.07 162.48 16.42 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.411 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 p -101.58 -6.49 23.79 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.637 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -136.89 143.17 42.84 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 111.196 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.6 p -65.09 -39.59 93.4 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.926 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.57 -34.86 79.25 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.226 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.1 -45.82 72.64 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.538 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.25 -45.23 89.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.19 -34.27 77.97 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -67.62 -49.66 61.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.97 -33.99 75.33 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 m -54.28 -40.99 68.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.705 0.402 . . . . 0.0 110.974 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -61.98 -22.72 65.9 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 m -54.5 -40.83 68.93 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.858 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -86.67 -22.91 25.83 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.616 0.246 . . . . 0.0 110.95 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.81 -6.27 51.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.529 -169.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.61 15.08 38.71 Favored Glycine 0 CA--C 1.546 2.022 0 C-N-CA 121.471 -0.395 . . . . 0.0 112.528 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.38 96.36 7.32 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -121.58 83.69 41.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.17 -19.51 4.63 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.694 2.263 . . . . 0.0 113.058 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.0 m-85 -81.16 75.99 8.12 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 84.7 p -78.86 145.97 33.89 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.2 t -70.28 161.22 30.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.124 0.488 . . . . 0.0 110.935 176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -125.54 7.62 7.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.908 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -65.26 153.02 90.56 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.502 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.68 4.71 2.0 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 122.781 2.321 . . . . 0.0 113.33 -171.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -148.26 30.69 0.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.081 0.152 . . . . 0.0 111.152 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.81 150.27 34.97 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.56 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -145.25 23.39 1.49 Allowed 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.946 169.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.5 mtmm -68.38 144.15 54.86 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 36.3 mttm -123.83 144.56 49.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.139 0.495 . . . . 0.0 111.548 -169.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -123.83 164.58 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.39 2.03 44.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.009 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -135.67 136.34 40.84 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.104 0.478 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.403 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 13.9 p -57.21 -45.31 83.94 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.716 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.15 -33.58 75.72 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.465 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.69 -40.59 92.75 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.0 tp -66.29 -43.19 87.06 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.77 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.03 -41.59 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.16 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.53 -46.88 84.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.431 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 58.9 t60 -54.51 -49.84 69.24 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 110.772 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -56.65 -37.85 71.36 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.966 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -18.79 64.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.179 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.7 mtm -106.0 0.66 25.86 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.079 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.344 0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.078 -171.888 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 80.9 m-85 . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 120.441 0.162 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -136.25 152.78 51.09 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.977 0.417 . . . . 0.0 110.31 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.14 159.76 25.53 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.927 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.63 61.66 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -150.62 134.69 9.27 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.248 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.76 -32.58 93.12 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.454 2.103 . . . . 0.0 112.632 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 6.64 49.82 Favored Glycine 0 CA--C 1.55 2.228 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.783 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 t -151.63 -89.2 0.06 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.864 0.332 . . . . 0.0 110.792 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.98 28.3 16.02 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 120.922 0.392 . . . . 0.0 111.01 -176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -81.37 170.65 15.74 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 135.83 39.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.328 0.585 . . . . 0.0 111.698 -169.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.766 ' CD1' HD23 ' A' ' 24' ' ' LEU . 61.8 m-85 -116.45 163.7 15.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.512 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.46 -8.53 13.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.629 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 21.2 mtpp -132.18 149.51 52.37 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.1 tt -76.17 -48.47 20.38 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.609 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 p -68.16 -35.96 78.88 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.6 -43.15 81.18 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.339 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -64.42 -32.28 73.84 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.521 170.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.82 -44.45 89.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.088 -0.382 . . . . 0.0 110.688 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -57.97 -46.27 85.41 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -58.0 -44.79 87.42 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 m -59.6 -35.44 74.33 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.168 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 mtt85 -61.94 -38.04 86.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -31.29 66.59 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 121.354 -0.138 . . . . 0.0 111.097 175.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -89.66 -26.81 20.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.999 175.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 54' ' ' LEU . 74.2 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.678 0.275 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.7 149.81 52.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 t . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.886 0.374 . . . . 0.0 110.824 177.581 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.66 153.09 21.03 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 111.024 -175.105 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 91.8 m-85 -135.6 164.8 27.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.02 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 p -110.52 20.44 17.7 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.453 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -168.56 157.15 8.52 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.66 0.267 . . . . 0.0 111.016 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.5 p -62.35 -35.19 78.35 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.411 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.1 -42.75 88.85 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.61 -47.11 79.8 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.634 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -60.16 -43.13 96.02 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 176.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.81 -47.07 88.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.344 0.258 . . . . 0.0 110.944 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -57.88 -47.4 82.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.692 0.282 . . . . 0.0 110.282 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 42.2 t-80 -60.88 -37.28 81.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -177.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -53.39 -38.18 63.15 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -33.37 63.36 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.316 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -58.12 -35.35 71.35 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.238 0.215 . . . . 0.0 111.254 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.46 -37.15 12.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.618 0.247 . . . . 0.0 111.163 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.1 p -81.34 -19.28 43.15 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.337 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.74 63.85 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.489 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.493 HG12 ' HD3' ' A' ' 66' ' ' PRO . 39.1 t -68.31 113.05 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.881 -175.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -121.52 81.3 39.28 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.306 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' HD3' HG12 ' A' ' 64' ' ' VAL . 85.8 Cg_endo -81.67 -23.0 5.1 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.666 2.244 . . . . 0.0 112.747 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.1 m-85 -78.92 76.28 5.41 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.653 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 pt20 -91.09 137.63 32.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.066 0.46 . . . . 0.0 111.044 -177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.488 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 t -64.59 129.43 39.8 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.468 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.488 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -66.1 -2.02 3.74 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.775 176.409 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -67.35 0.99 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.43 0.292 . . . . 0.0 110.762 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 29.2 p -108.65 3.88 23.3 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -174.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.33 15.99 9.12 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.961 0.505 . . . . 0.0 111.843 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -53.65 111.96 0.83 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 169.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 43.5 mttt -87.88 136.61 32.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.126 0.488 . . . . 0.0 111.063 -172.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -130.74 160.92 32.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.417 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 m -105.63 -0.22 25.83 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -133.35 135.34 44.69 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 110.707 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 p -65.76 -39.53 91.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.57 -34.83 79.16 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.3 -42.65 83.38 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.617 172.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -65.81 -46.73 77.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.56 0.219 . . . . 0.0 110.986 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.54 -34.38 77.68 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.63 0.253 . . . . 0.0 110.432 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.8 m -67.01 -49.62 64.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.67 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -63.07 -32.72 74.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.17 -40.99 68.01 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -62.11 -24.62 67.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.424 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -65.71 -28.91 69.41 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.912 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.76 -24.2 17.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.959 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -91.89 -6.14 52.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.542 -170.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.33 13.95 55.64 Favored Glycine 0 CA--C 1.545 1.907 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.38 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.34 91.34 5.04 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.851 0.358 . . . . 0.0 110.795 -174.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -117.41 78.95 11.37 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.38 -24.24 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.659 2.239 . . . . 0.0 112.871 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.4 m-85 -77.56 77.37 4.08 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -176.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.0 m -81.61 145.16 30.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.463 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.7 t -70.36 159.7 33.66 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.088 0.471 . . . . 0.0 110.968 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.2 14.73 7.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.9 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -65.22 160.88 54.2 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.65 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.78 -32.27 28.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 123.113 2.542 . . . . 0.0 113.55 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.4 p -147.08 82.13 1.55 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.702 0.286 . . . . 0.0 110.566 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 42.5 t -148.88 155.38 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -145.21 22.92 1.52 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.424 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mppt? -78.32 138.2 38.45 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -128.44 143.4 50.98 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -172.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.9 162.41 27.6 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.4 -0.07 38.89 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.046 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -135.32 137.75 42.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 110.489 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 16.1 p -57.22 -44.8 84.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.697 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -67.41 -33.56 75.43 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.707 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -60.6 -39.56 88.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.22 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.8 tp -67.65 -42.56 82.03 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.884 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 80.2 t -57.98 -41.64 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.06 -46.81 85.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -54.51 -49.5 70.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.537 0.208 . . . . 0.0 110.744 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -56.65 -39.58 73.95 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.836 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -16.62 63.8 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.178 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -109.56 2.83 20.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.993 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.067 -172.336 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 120.368 0.128 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 152.35 50.45 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 169.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -65.08 145.73 55.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.303 170.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.93 15.88 5.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.26 116.14 46.03 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.5 95.43 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.28 1.987 . . . . 0.0 111.446 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.41 -24.0 1.37 Allowed Glycine 0 CA--C 1.552 2.383 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -169.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.53 178.77 6.73 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.547 1.139 . . . . 0.0 109.437 169.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -173.06 31.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.699 0.285 . . . . 0.0 111.222 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -72.57 149.85 43.65 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.61 127.08 45.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.271 0.558 . . . . 0.0 110.953 -175.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.657 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.4 m-85 -111.94 170.05 8.42 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.229 1.012 . . . . 0.0 110.465 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -117.52 -29.08 5.89 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.366 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 60.7 mmtt -106.74 134.03 50.51 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.706 0.289 . . . . 0.0 110.573 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.04 -51.44 67.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.601 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 p -67.96 -35.72 78.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.085 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -73.41 -29.44 62.59 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.213 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.657 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.35 -40.04 64.73 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 169.363 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.85 -39.5 85.42 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.857 -0.156 . . . . 0.0 110.586 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.1 mmt -59.98 -45.95 91.04 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.522 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -58.0 -40.14 80.01 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 p -58.92 -34.09 71.32 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.235 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -55.59 -38.45 69.44 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.93 -28.16 65.97 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.328 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -89.63 -20.73 23.35 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.846 -179.047 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 59.4 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.602 0.239 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -132.8 154.64 50.09 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.382 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.55 0.959 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.56 172.697 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.713 0.292 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -117.79 152.35 35.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 63.7 m-85 -138.63 139.42 38.53 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.0 t -88.74 3.72 49.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -141.15 138.06 33.17 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 110.639 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 p -59.65 -44.63 93.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.239 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -33.91 77.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.69 -46.12 83.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.596 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 31.9 tp -61.56 -46.77 88.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.763 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -57.93 -42.88 85.78 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.589 0.233 . . . . 0.0 110.776 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -61.85 -47.09 86.6 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.544 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 69.7 t60 -60.58 -47.59 85.53 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -53.32 -38.07 62.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -55.18 -33.09 62.71 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.019 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.89 -38.19 90.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.507 0.194 . . . . 0.0 111.142 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -81.29 -12.79 58.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.372 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 p -118.5 -7.9 10.56 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.68 -170.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.1 48.56 Favored Glycine 0 CA--C 1.552 2.345 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.405 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.44 125.42 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 117.145 0.473 . . . . 0.0 110.886 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.29 88.29 32.48 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.132 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 88.7 Cg_endo -84.8 -13.84 6.64 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.58 2.187 . . . . 0.0 113.262 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.472 ' HB3' HD13 ' A' ' 82' ' ' LEU . 88.6 m-85 -90.42 133.85 34.74 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -124.52 138.96 54.29 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.146 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.54 148.61 50.37 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.446 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.57 -4.33 51.11 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 -71.13 0.76 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -175.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -88.38 -4.02 58.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.547 0.213 . . . . 0.0 111.117 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 61.22 26.1 16.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.323 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.48 140.81 35.73 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 120.818 0.342 . . . . 0.0 110.71 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -93.29 145.69 24.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.068 0.461 . . . . 0.0 111.316 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.97 163.46 31.46 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.1 p -96.38 -10.62 27.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.822 -174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -139.65 135.72 33.56 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 p -60.07 -34.12 73.0 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.11 -41.04 95.29 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.835 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -63.77 -44.7 92.64 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.387 0.137 . . . . 0.0 110.817 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.3 tt -63.07 -47.55 82.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.536 0.208 . . . . 0.0 110.779 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.82 -34.25 76.91 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -67.74 -49.52 62.1 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.69 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.69 -32.61 73.73 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.804 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -53.95 -40.88 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.447 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -61.98 -23.01 66.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -60.02 -30.39 69.13 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.02 -23.98 22.46 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.2 p -97.1 -3.71 40.71 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.99 18.66 27.36 Favored Glycine 0 CA--C 1.551 2.307 0 C-N-CA 121.682 -0.294 . . . . 0.0 112.555 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -75.08 81.54 2.26 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.969 0.414 . . . . 0.0 111.155 -172.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -109.17 83.55 2.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.62 -26.43 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.555 2.17 . . . . 0.0 113.014 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -74.73 82.23 2.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.962 0.411 . . . . 0.0 110.877 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 16.6 m -87.96 145.1 26.18 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.447 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.2 t -70.54 161.27 30.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -126.82 7.75 6.78 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.989 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -68.89 147.36 97.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.777 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.99 26.4 0.33 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.157 2.571 . . . . 0.0 112.903 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.62 27.45 0.1 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.597 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 14.8 t -137.95 177.68 7.69 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.147 0.499 . . . . 0.0 111.152 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -175.53 27.75 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.038 178.034 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.04 152.75 21.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -128.58 148.18 50.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.023 0.44 . . . . 0.0 111.557 -176.529 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.84 163.77 25.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.67 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.37 0.25 33.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -133.22 139.61 47.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.166 0.508 . . . . 0.0 110.741 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.4 t -59.83 -41.85 92.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.65 -33.75 75.58 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.511 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.7 -42.42 97.16 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 97' ' ' CYS . 60.6 tp -64.13 -42.83 96.68 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.887 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.22 -43.47 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 120.885 0.374 . . . . 0.0 110.494 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -69.42 -33.92 73.7 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -67.17 -42.28 84.53 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.484 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.59 -33.39 66.15 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -16.72 64.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.453 0.168 . . . . 0.0 111.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -80.92 -19.31 44.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.494 0.188 . . . . 0.0 110.897 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 C--N 1.346 0.419 0 CA-C-O 120.711 0.291 . . . . 0.0 110.41 177.134 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.221 -0.424 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptm -136.43 154.67 50.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.796 0.332 . . . . 0.0 110.378 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 53.7 t -71.2 159.16 35.15 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.912 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.91 25.24 10.07 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.939 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 69.1 t80 -103.5 133.01 20.53 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.495 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 55.7 Cg_endo -71.45 1.57 5.41 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 C-N-CA 122.807 2.338 . . . . 0.0 113.546 -173.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.48 25.9 10.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 170.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -154.39 -87.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.592 0.357 . . . . 0.0 110.885 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.9 m120 46.84 42.12 11.55 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 -172.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -85.18 178.86 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.26 130.5 56.22 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.692 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.2 m-85 -113.7 162.91 15.69 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.878 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -115.84 -44.72 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 43.7 mmtm -85.67 120.16 26.8 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.23 -44.16 61.63 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-O 120.72 0.295 . . . . 0.0 110.474 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 p -68.21 -41.35 81.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.5 -29.16 66.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.861 0.362 . . . . 0.0 110.139 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.21 -41.98 63.16 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 169.605 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -58.46 -44.41 89.23 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.322 -0.236 . . . . 0.0 110.735 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.51 85.82 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.639 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.7 t60 -57.85 -38.31 75.44 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -59.08 -35.23 73.04 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.99 -38.62 70.69 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.001 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.81 -35.06 75.52 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.485 0.183 . . . . 0.0 111.015 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 26.3 m-70 -83.33 -26.41 30.59 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.218 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.494 1.728 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.135 172.072 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.6 m-85 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.667 0.27 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.46 151.62 51.83 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.552 1.056 0 CA-C-O 121.081 0.467 . . . . 0.0 111.316 179.424 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 . . . . . 0 CA--C 1.513 -0.449 0 CA-C-O 120.894 0.378 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -108.08 153.22 23.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.6 m-85 -132.72 164.8 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.14 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -107.88 7.78 28.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.499 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -162.71 155.16 18.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.8 p -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.22 -42.73 88.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.625 0.25 . . . . 0.0 111.05 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.77 -43.24 89.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.576 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.83 -48.26 77.49 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -63.69 -40.09 95.93 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.505 0.193 . . . . 0.0 110.927 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -57.26 -47.43 81.42 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 35.7 t-80 -60.7 -37.96 83.42 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.146 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -53.34 -38.38 63.19 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.407 0.146 . . . . 0.0 111.073 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -55.52 -33.23 63.58 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 122.483 -0.136 . . . . 0.0 111.104 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -64.65 -38.77 92.13 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.106 0.162 . . . . 0.0 111.179 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -82.59 -31.32 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.558 0.218 . . . . 0.0 111.131 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -82.6 -38.6 23.39 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.23 -1.95 43.7 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 121.436 -0.412 . . . . 0.0 112.63 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.47 144.43 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 121.109 0.48 . . . . 0.0 111.272 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -133.99 83.45 46.03 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.877 175.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.57 -15.34 17.43 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.593 2.195 . . . . 0.0 113.746 -169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.7 m-85 -92.24 101.06 13.55 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.71 135.22 47.52 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.773 0.32 . . . . 0.0 111.029 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.63 148.15 51.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.545 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -94.33 -2.77 51.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.76 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -69.82 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.7 p -83.58 -16.12 46.55 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.838 -0.165 . . . . 0.0 111.171 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 76.51 13.62 2.39 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.981 0.513 . . . . 0.0 111.41 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -78.97 141.86 37.15 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.63 146.96 24.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 111.42 -176.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -137.31 162.16 34.29 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.863 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -102.62 -3.01 27.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.839 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -138.75 129.0 25.63 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.03 0.443 . . . . 0.0 111.556 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 p -51.19 -43.92 61.45 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -62.24 -34.82 77.24 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -76.8 -35.16 57.81 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.159 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.3 tt -68.16 -44.65 75.5 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.67 -34.27 76.77 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.641 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.4 m -69.59 -49.39 54.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.623 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -62.6 -31.13 71.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -54.08 -40.68 67.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.903 0.481 . . . . 0.0 110.544 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -61.86 -22.9 65.92 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.138 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 m -57.25 -42.07 80.82 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -91.06 -18.78 24.01 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -98.6 -3.38 36.38 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.597 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.2 15.34 36.89 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.604 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.88 88.58 5.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.51 83.99 14.27 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.527 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.41 -25.7 2.48 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.55 2.167 . . . . 0.0 113.058 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -74.97 78.62 2.17 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.051 0.453 . . . . 0.0 110.851 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -80.77 146.1 31.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.454 ' HA ' HD11 ' A' ' 112' ' ' LEU . 20.8 t -70.56 161.32 30.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.114 0.483 . . . . 0.0 110.989 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -125.06 6.92 7.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.983 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -65.06 149.31 97.0 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.743 0.306 . . . . 0.0 110.459 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.52 12.58 0.51 Allowed 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 122.909 2.406 . . . . 0.0 113.316 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -150.28 24.11 0.82 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.113 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 46.8 t -138.6 151.35 47.18 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 121.139 0.495 . . . . 0.0 111.595 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -144.47 25.43 1.51 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.987 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -74.33 148.4 41.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.055 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -128.5 145.08 51.21 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.206 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.3 162.79 23.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.12 -0.72 43.84 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -135.58 141.96 45.23 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.214 0.531 . . . . 0.0 110.881 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -59.02 -45.25 91.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.885 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -67.38 -33.65 75.66 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.409 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.61 -41.1 94.09 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -63.76 -43.97 94.83 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.744 174.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.97 -47.36 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.133 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.13 -46.5 85.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.588 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.59 -49.81 69.53 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.799 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -57.2 -37.78 72.7 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.856 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -15.74 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.039 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.6 mtt -113.42 7.73 17.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.346 0.423 0 CA-C-O 120.646 0.26 . . . . 0.0 110.972 -173.489 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 24' ' ' LEU . 76.7 m-85 . . . . . 0 C--O 1.212 -0.893 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.43 151.03 49.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 169.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.3 t -69.55 166.56 18.68 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.522 171.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.28 14.21 0.59 Allowed 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 57.8 t80 -63.43 148.57 93.44 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 172.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 11' ' ' TYR . 97.4 Cg_exo -55.22 -10.23 2.91 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 122.744 2.296 . . . . 0.0 113.945 -174.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.2 10.86 8.21 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 121.608 -0.329 . . . . 0.0 112.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.5 t -143.17 168.0 20.79 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.247 0.546 . . . . 0.0 111.496 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.62 24.02 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -76.26 150.41 37.01 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -170.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -98.68 127.12 44.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.222 0.534 . . . . 0.0 111.533 -172.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 24' ' ' LEU . 50.0 m-85 -109.37 170.13 8.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.357 1.063 . . . . 0.0 110.218 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -115.67 -8.92 12.03 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.502 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.67 143.12 50.06 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.014 0.435 . . . . 0.0 111.477 -176.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.73 -56.64 17.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.794 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -67.89 -38.42 82.99 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.899 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -70.42 -29.94 66.68 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -73.69 -39.1 64.64 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.026 169.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.75 -38.56 85.6 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.193 -0.317 . . . . 0.0 110.426 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.31 -44.86 95.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -57.87 -41.32 82.24 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -59.1 -34.39 71.96 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.025 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -38.44 69.71 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -36.66 69.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.639 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -80.36 -20.75 43.41 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.797 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.482 1.14 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.009 175.195 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HB3' HD22 ' A' ' 54' ' ' LEU . 33.7 m-85 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.624 0.25 . . . . 0.0 111.569 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -88.61 136.28 33.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.864 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 CA--C 1.543 0.706 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 177.216 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.829 0.347 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -110.85 144.39 39.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.88 139.47 51.15 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.912 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 p -91.23 10.5 26.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.465 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -149.06 144.83 26.94 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.329 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -59.47 -44.44 93.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -34.04 74.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -72.12 -41.84 66.74 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.683 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 37' ' ' TYR . 60.5 tp -60.85 -45.38 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.54 -44.68 95.84 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.382 0.273 . . . . 0.0 111.183 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' NH1' HH11 ' A' ' 78' ' ' ARG . 39.7 ttp180 -59.08 -46.48 88.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 174.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.1 -37.49 82.93 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.32 -27.12 21.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 122.468 -0.145 . . . . 0.0 111.293 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.99 -33.06 62.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 122.466 -0.146 . . . . 0.0 110.965 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.93 71.96 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 120.556 0.217 . . . . 0.0 111.051 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -87.72 -2.63 58.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.288 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 p -127.49 -2.65 6.15 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.442 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.94 57.74 Favored Glycine 0 CA--C 1.545 1.937 0 C-N-CA 121.649 -0.31 . . . . 0.0 113.449 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.84 140.9 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 117.099 0.45 . . . . 0.0 111.292 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -130.75 88.79 45.24 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.767 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 58.9 Cg_endo -76.63 -19.29 14.69 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.478 2.118 . . . . 0.0 113.531 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.566 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.9 m-85 -85.24 136.08 33.66 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -124.5 139.78 53.56 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.943 -0.117 . . . . 0.0 110.847 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.42 148.35 50.69 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.049 0.452 . . . . 0.0 110.403 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -2.76 58.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -76.48 0.57 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 -172.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.16 1.08 52.0 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 120.606 0.241 . . . . 0.0 111.411 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 59.11 22.87 11.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.48 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -72.19 134.4 45.65 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -95.18 144.91 25.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.073 0.463 . . . . 0.0 111.144 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.85 161.09 36.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.603 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 49.1 p -98.59 -9.59 24.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.72 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.517 HH11 ' NH1' ' A' ' 56' ' ' ARG . 37.1 mtm180 -137.6 138.56 39.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 p -57.09 -38.57 73.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.81 -42.2 88.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -67.3 -41.4 85.44 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.836 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -63.87 -47.18 81.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.474 0.178 . . . . 0.0 110.73 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.651 0.262 . . . . 0.0 110.655 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -66.2 -49.58 66.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.532 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -61.93 -34.87 76.88 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -54.22 -41.03 68.21 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -62.01 -22.96 66.13 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.951 -0.113 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -59.24 -46.2 89.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.338 0.255 . . . . 0.0 110.834 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -80.89 -18.66 46.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.737 0.303 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 m -91.88 -6.09 52.13 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.46 24.03 50.87 Favored Glycine 0 CA--C 1.545 1.941 0 C-N-CA 121.599 -0.334 . . . . 0.0 112.357 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -91.28 115.69 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.603 0.24 . . . . 0.0 111.016 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -125.15 83.42 60.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.173 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 91.4 Cg_endo -83.21 -17.87 6.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.624 2.216 . . . . 0.0 112.994 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.1 m-85 -85.54 77.39 9.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.799 0.333 . . . . 0.0 110.729 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 77.6 p -85.45 143.16 28.74 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.965 0.412 . . . . 0.0 110.928 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.9 t -70.08 143.19 52.51 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -107.06 6.71 29.22 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.146 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.72 150.74 90.23 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 120.75 0.309 . . . . 0.0 110.65 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.43 22.91 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.311 0 C-N-CA 122.978 2.452 . . . . 0.0 113.161 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.47 23.01 0.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.246 0.218 . . . . 0.0 110.997 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.6 t -146.65 158.29 43.88 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 120.988 0.423 . . . . 0.0 111.153 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -149.45 24.03 0.9 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.133 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 134.83 57.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.336 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 40.0 mttm -111.28 137.69 48.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.006 0.432 . . . . 0.0 111.465 -169.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -126.57 158.95 34.88 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.48 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.427 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.05 4.25 47.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.02 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -136.59 135.41 38.37 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.479 178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.3 p -58.46 -41.49 85.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.599 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.35 -33.76 75.9 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.771 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -61.29 -42.93 99.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.52 -40.01 88.93 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.791 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.14 -45.83 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 174.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.88 -47.03 86.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.344 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -54.46 -49.95 68.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.771 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.65 -38.09 74.48 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -15.66 63.62 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.139 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.4 mtt -113.0 4.62 16.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 110.978 -173.305 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 ptm -136.61 156.45 48.54 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.94 0.4 . . . . 0.0 111.651 169.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.9 t -68.1 160.08 29.63 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.343 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -105.91 -23.92 12.56 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.623 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.92 129.87 85.91 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.11 56.34 4.29 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.043 2.495 . . . . 0.0 112.747 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.47 -28.63 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t -84.91 -69.68 0.63 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.523 0.329 . . . . 0.0 110.401 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.26 40.1 1.11 Allowed 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.168 0.587 . . . . 0.0 111.62 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -78.16 155.65 30.32 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -102.8 132.15 49.18 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.105 0.479 . . . . 0.0 111.288 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.69 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.4 m-85 -118.53 169.48 9.75 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.909 -173.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -116.95 -51.96 2.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.186 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 44.5 mttp -79.29 113.24 17.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -48.64 -47.29 40.42 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.409 -175.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -68.21 -35.66 78.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.3 -32.9 73.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 120.744 -0.383 . . . . 0.0 109.988 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -71.62 -44.13 64.93 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.235 171.162 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -58.16 -38.52 76.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -41.68 87.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.723 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -57.95 -38.76 76.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.579 0.228 . . . . 0.0 110.593 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 t -59.12 -34.65 72.29 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.136 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' NH1' HG21 ' A' ' 32' ' ' THR . 3.6 tpp180 -55.6 -38.29 69.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -39.31 73.31 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.112 0.257 . . . . 0.0 110.857 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -79.69 -32.5 41.39 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.478 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' NH1' ' A' ' 29' ' ' ARG . 44.3 p . . . . . 0 N--CA 1.489 1.516 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.52 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.4 m-85 . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.622 0.248 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.54 152.26 51.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.545 0.785 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.966 177.806 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.727 0.299 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -95.73 151.12 19.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.0 m-85 -134.59 164.76 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.961 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -109.54 5.44 23.17 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -151.28 157.21 42.25 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 172.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -59.33 -41.45 89.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.69 -36.57 80.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.342 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.92 -44.29 93.35 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.478 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -65.83 -45.91 80.52 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.983 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.05 -39.25 89.09 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.808 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -47.37 86.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.312 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 61.2 t60 -60.78 -37.94 83.59 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.157 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -53.24 -37.92 62.51 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.932 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -55.3 -33.18 63.05 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 122.489 -0.132 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.64 -36.99 80.03 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 120.495 0.188 . . . . 0.0 111.173 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -89.1 -30.33 18.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.265 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -90.3 -19.37 24.15 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.229 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.79 2.75 88.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 121.774 -0.251 . . . . 0.0 113.016 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 m -71.62 145.52 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.084 0.469 . . . . 0.0 111.01 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -132.37 83.89 53.46 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.269 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -65.5 -20.06 60.71 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.793 2.329 . . . . 0.0 113.456 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.766 ' HB3' HD13 ' A' ' 82' ' ' LEU . 42.7 m-85 -102.15 131.11 48.86 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-O 120.471 0.177 . . . . 0.0 110.58 -175.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -124.29 141.55 51.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.563 0.221 . . . . 0.0 110.778 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.26 148.43 50.22 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 3.11 52.67 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.865 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.35 -75.46 0.59 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.528 -173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.92 2.99 54.42 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.394 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 63.01 19.97 11.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 122.653 0.381 . . . . 0.0 111.605 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.83 125.12 24.9 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.432 0.293 . . . . 0.0 110.688 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -87.87 148.98 24.39 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.0 0.429 . . . . 0.0 111.062 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -143.98 155.89 44.2 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.197 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -95.74 -1.61 49.51 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.535 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -135.3 135.91 41.18 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.855 0.359 . . . . 0.0 110.803 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -62.16 -42.42 99.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.81 -36.1 82.79 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.278 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -67.25 -44.38 79.55 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -64.39 -47.5 78.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.509 0.195 . . . . 0.0 110.8 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -61.03 -34.29 74.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.328 0.251 . . . . 0.0 110.574 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.2 m -69.78 -49.67 50.62 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.755 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -61.54 -33.57 74.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.764 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.12 -41.11 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.674 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.412 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 59.3 mtt180 -62.63 -23.13 66.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.609 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -62.23 -26.87 68.61 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 120.435 0.16 . . . . 0.0 110.666 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -94.76 -27.68 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.34 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 21.3 p -91.79 -6.24 52.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.94 9.09 45.33 Favored Glycine 0 CA--C 1.551 2.289 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.796 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.94 94.19 0.83 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -118.07 76.65 11.85 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.56 -20.34 12.31 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.543 2.162 . . . . 0.0 112.815 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.1 74.39 8.1 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.069 0.461 . . . . 0.0 110.656 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -78.99 145.92 33.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.617 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.423 ' HA ' HD11 ' A' ' 112' ' ' LEU . 6.0 t -71.72 120.02 16.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -88.42 6.96 34.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.429 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -63.27 144.79 97.39 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 120.658 0.266 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.72 30.12 0.35 Allowed 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 123.089 2.526 . . . . 0.0 112.681 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -163.73 22.05 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.926 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.6 t -141.15 172.33 12.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.151 0.5 . . . . 0.0 111.126 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.46 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.3 tp-100 -165.95 24.83 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -75.81 150.02 37.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -128.48 142.16 51.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.043 -172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -129.89 159.65 35.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.812 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.98 0.95 42.09 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.085 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -133.72 140.71 47.17 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.182 0.515 . . . . 0.0 110.813 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 p -59.9 -44.5 94.22 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.047 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -67.4 -33.71 75.76 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.447 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.68 -41.85 95.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.7 tp -65.58 -41.83 92.42 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.997 175.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.03 -46.47 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-O 120.901 0.382 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.46 -46.63 88.23 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.487 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.95 -44.3 94.5 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.022 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.66 -33.4 66.34 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.784 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -16.34 63.81 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-N 116.974 -0.103 . . . . 0.0 111.183 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -81.67 -12.58 58.61 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.499 0.19 . . . . 0.0 111.028 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.343 176.874 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.216 -0.682 0 CA-C-O 120.573 0.225 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 ptm -136.57 146.12 45.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 168.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.59 157.98 25.54 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.508 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.68 16.5 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -79.4 134.61 58.23 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 120.669 0.271 . . . . 0.0 110.885 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.66 152.21 82.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.396 2.064 . . . . 0.0 111.885 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.3 -7.13 54.78 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.225 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.6 t -128.93 -87.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 122.53 0.332 . . . . 0.0 110.384 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.8 m120 51.14 26.61 2.95 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.883 0.473 . . . . 0.0 111.584 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.32 159.26 32.65 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 120.844 0.354 . . . . 0.0 111.036 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -98.74 134.64 41.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.416 -171.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 89.7 m-85 -119.91 165.47 14.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.626 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -132.64 5.79 4.01 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.853 -174.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 71.8 mttt -143.74 98.84 3.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.272 0.229 . . . . 0.0 110.604 178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.11 -42.22 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.656 -170.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.65 77.37 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 120.97 0.414 . . . . 0.0 112.082 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -59.41 -45.18 92.24 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -62.13 -34.19 75.9 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.47 171.729 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.26 -47.2 84.36 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.096 -0.377 . . . . 0.0 110.261 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.48 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -57.98 -41.07 82.18 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 120.705 0.288 . . . . 0.0 110.674 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 p -59.18 -35.13 73.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.591 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 ttm105 -55.94 -38.55 70.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -56.57 -36.15 68.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.048 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -89.67 -28.72 19.27 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 119.469 -0.3 . . . . 0.0 111.752 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.507 2.385 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.667 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.7 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -129.13 157.89 40.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 121.184 0.516 . . . . 0.0 111.12 -175.304 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.32 151.33 43.5 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.615 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -136.98 139.4 41.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 -175.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -84.0 1.69 42.52 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.714 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -146.3 147.03 30.95 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.972 0.415 . . . . 0.0 111.005 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 t -59.36 -41.83 90.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.3 -37.21 86.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.335 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -69.14 -37.46 78.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 120.633 0.254 . . . . 0.0 110.599 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -67.22 -40.87 86.44 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -64.55 -36.4 84.09 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.471 0.177 . . . . 0.0 110.778 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -62.31 -47.72 83.04 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 171.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 42.1 t-80 -60.76 -38.39 85.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.302 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -53.3 -38.46 63.17 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.147 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -33.3 71.96 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 122.456 -0.152 . . . . 0.0 110.929 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.17 -31.65 65.62 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.468 0.175 . . . . 0.0 111.043 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -102.6 -2.7 27.9 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -132.08 -9.69 3.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.69 -107.32 2.14 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.5 t 65.81 -68.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 123.348 0.659 . . . . 0.0 111.696 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 45.67 72.92 1.08 Allowed Pre-proline 0 N--CA 1.488 1.455 0 C-N-CA 122.891 0.476 . . . . 0.0 110.682 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.82 -17.78 32.5 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.853 2.368 . . . . 0.0 113.692 -169.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 92.5 m-85 -83.53 124.28 30.59 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -124.29 134.16 53.28 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 122.326 -0.234 . . . . 0.0 110.487 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.76 124.45 21.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.08 0.467 . . . . 0.0 110.576 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -5.05 43.02 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.533 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -48.05 7.23 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.487 0.184 . . . . 0.0 110.588 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 11.4 p -115.51 -79.46 0.59 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 167.12 4.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.797 1.239 . . . . 0.0 110.109 -178.545 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.75 110.27 0.77 Allowed 'General case' 0 C--N 1.349 0.579 0 C-N-CA 122.818 0.447 . . . . 0.0 110.666 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -87.72 139.09 30.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.162 0.506 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -132.93 158.81 41.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.318 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 t -95.28 -4.32 45.85 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.422 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -138.09 141.12 40.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 p -62.35 -40.06 95.16 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -60.93 -37.49 82.51 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.304 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -69.34 -44.46 71.57 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 120.436 0.16 . . . . 0.0 110.644 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.1 tt -64.77 -44.83 88.77 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.424 0.154 . . . . 0.0 110.942 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -65.92 -34.43 78.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.564 0.221 . . . . 0.0 110.569 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 m -63.6 -49.36 73.66 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.484 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.434 ' O ' ' HB ' ' A' ' 88' ' ' THR . 72.0 t60 -62.12 -36.01 80.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.3 m -57.99 -41.7 83.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.501 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -67.6 -23.81 65.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 122.429 -0.169 . . . . 0.0 110.828 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 99.8 m -71.89 -30.49 65.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.793 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -84.4 -24.6 29.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.656 0.265 . . . . 0.0 110.566 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -91.72 -6.1 52.53 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.65 17.39 53.83 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.172 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -79.06 93.02 5.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.597 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -118.06 79.73 14.43 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.641 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.0 -19.15 8.46 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.746 2.297 . . . . 0.0 113.181 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -78.53 77.8 5.01 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 0.0 110.729 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -78.79 145.87 34.1 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.28 161.1 31.0 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.551 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -117.37 -3.47 11.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.994 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -69.3 127.02 93.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.48 -14.2 36.59 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.563 2.175 . . . . 0.0 113.018 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -101.75 18.66 19.88 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.355 0.262 . . . . 0.0 111.151 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.33 -86.42 0.2 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.276 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 61.74 39.14 14.47 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.794 0.438 . . . . 0.0 111.379 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 160.58 29.82 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 170.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -124.31 140.37 53.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -128.89 161.02 30.82 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.672 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.44 0.61 40.06 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.055 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -135.86 139.18 43.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.151 0.5 . . . . 0.0 110.897 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.8 t -59.36 -42.89 92.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.987 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -67.39 -33.8 75.94 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.66 -43.28 97.83 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.73 -42.62 97.86 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.858 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.17 -47.58 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 120.681 0.277 . . . . 0.0 110.401 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -62.37 -46.89 86.59 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.259 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -55.37 -45.3 76.56 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.132 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -59.09 -33.57 70.98 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.546 0.212 . . . . 0.0 111.019 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.57 -15.66 62.28 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 122.413 -0.179 . . . . 0.0 111.107 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 46.1 mtt -80.22 -7.8 59.15 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.369 0.128 . . . . 0.0 111.089 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.349 0.55 0 CA-C-O 120.775 0.321 . . . . 0.0 110.464 176.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 . . . . . 0 C--O 1.214 -0.796 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.9 mtp -136.45 150.3 48.66 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 121.997 -0.439 . . . . 0.0 110.011 168.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -71.05 158.36 36.63 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 -28.24 11.35 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.21 138.77 73.56 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.119 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.19 151.82 83.78 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.475 2.117 . . . . 0.0 112.19 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.91 -26.65 2.04 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -96.48 -88.53 0.28 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.426 0.291 . . . . 0.0 110.471 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m120 46.42 38.66 5.58 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -86.72 164.07 16.96 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.55 148.27 26.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.27 0.557 . . . . 0.0 111.646 -172.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.764 ' CD2' HD23 ' A' ' 24' ' ' LEU . 98.2 m-85 -135.41 160.47 38.36 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.579 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.57 -50.72 2.61 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -77.17 123.89 27.05 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.635 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.48 -47.0 66.8 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.438 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 p -68.07 -36.07 79.23 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -34.93 69.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -69.08 -32.28 71.62 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.998 169.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.57 -40.94 93.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 122.272 -0.267 . . . . 0.0 110.645 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -42.58 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 172.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.94 -45.03 87.22 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -59.18 -35.0 72.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.09 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -55.71 -38.17 69.37 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.543 0.211 . . . . 0.0 110.697 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.23 -38.77 71.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -87.21 -33.97 19.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.551 0.215 . . . . 0.0 110.877 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.926 171.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.812 0.339 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.59 155.72 48.18 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.971 169.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 t . . . . . 0 CA--C 1.542 0.636 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -178.176 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.03 148.94 23.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -174.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -133.66 161.66 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.571 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 p -108.12 7.26 27.51 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -158.23 156.83 31.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.237 0.541 . . . . 0.0 111.669 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -58.67 -44.48 90.22 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.022 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.85 -34.15 76.14 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.251 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.88 -46.23 88.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.683 0.278 . . . . 0.0 110.462 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.19 -45.58 84.23 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.08 -37.97 89.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.53 0.205 . . . . 0.0 110.853 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -61.2 -45.78 93.18 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.298 172.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.429 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 27.1 t-80 -60.66 -39.56 88.83 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.875 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -53.32 -37.84 62.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.125 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -55.17 -33.35 62.91 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 122.291 -0.255 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -66.69 -38.42 86.75 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.11 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -82.26 -31.31 30.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.591 0.234 . . . . 0.0 111.083 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -79.01 -49.74 12.21 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.772 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.22 -3.39 25.3 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -72.74 138.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.074 0.464 . . . . 0.0 111.424 -173.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -138.78 80.85 24.14 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.301 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.48 -19.82 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 122.654 2.236 . . . . 0.0 113.279 -171.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.1 m-85 -83.84 92.76 7.84 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.345 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -98.91 135.46 40.3 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.62 148.15 51.49 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.464 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -98.47 8.15 45.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.56 -59.8 1.97 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 29.5 p -99.56 -22.15 15.59 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.281 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 91.26 6.18 0.08 Allowed 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.801 0.841 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -61.68 128.09 34.58 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.739 0.304 . . . . 0.0 110.62 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.57 138.4 36.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.944 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -130.28 163.12 27.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -105.63 3.12 28.82 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.21 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.49 122.04 17.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 -175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.2 p -51.92 -42.08 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.915 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.37 -34.88 74.51 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.393 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -73.42 -39.63 64.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.807 175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -68.11 -42.72 79.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.425 0.155 . . . . 0.0 110.925 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.38 -39.8 95.49 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.695 0.283 . . . . 0.0 110.416 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 m -62.93 -49.5 74.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.559 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -62.46 -34.87 77.67 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.074 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -54.31 -41.35 68.86 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.676 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -65.06 -22.82 67.03 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.376 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.1 p -68.29 -30.16 69.1 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.908 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -93.66 -20.54 20.08 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.814 0.34 . . . . 0.0 110.747 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 m -97.56 4.85 50.19 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.8 26.46 5.64 Favored Glycine 0 CA--C 1.547 2.043 0 C-N-CA 121.437 -0.411 . . . . 0.0 112.613 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.26 92.21 9.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.892 0.377 . . . . 0.0 110.916 -169.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -113.66 87.43 12.01 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -87.17 -21.98 1.85 Allowed 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 122.65 2.233 . . . . 0.0 112.985 -176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.7 m-85 -79.6 79.37 6.08 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -175.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 t -81.75 143.01 32.12 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.6 t -70.48 161.21 30.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.3 0.571 . . . . 0.0 111.149 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -131.89 14.5 4.8 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.754 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.74 163.76 52.2 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -48.34 107.23 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.006 2.471 . . . . 0.0 112.944 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t 65.66 16.84 10.68 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.158 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.6 t -88.75 164.56 15.21 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.174 0.511 . . . . 0.0 110.933 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 5.0 tp-100 -165.43 29.28 0.06 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.425 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -71.16 128.2 35.11 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.146 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -105.5 142.26 35.56 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -171.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.05 159.37 34.37 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.653 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.66 4.03 42.92 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -138.73 136.21 35.53 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 110.406 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.415 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.4 p -58.22 -42.99 87.47 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.8 -177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -67.21 -33.52 75.54 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.676 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -60.53 -41.24 94.05 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 57.4 tp -63.07 -45.4 92.34 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.599 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.91 -43.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.406 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.22 -46.54 88.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -54.44 -49.72 69.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.664 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -56.73 -39.1 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.777 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -17.31 63.29 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 120.569 0.223 . . . . 0.0 111.115 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.7 mtp -108.07 6.16 26.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 122.478 0.311 . . . . 0.0 110.935 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 120.733 0.302 . . . . 0.0 111.047 -172.741 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -136.63 154.15 50.73 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.753 0.311 . . . . 0.0 110.438 168.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 43.7 t -71.02 166.52 21.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.073 169.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -117.92 -15.71 9.96 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.143 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -65.19 128.74 94.06 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.545 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.23 -38.25 51.0 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.942 2.428 . . . . 0.0 113.188 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.47 9.48 49.32 Favored Glycine 0 CA--C 1.548 2.113 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.906 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.01 -86.53 0.21 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.691 0.246 . . . . 0.0 110.845 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.94 21.5 10.53 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.654 0.382 . . . . 0.0 111.154 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -78.95 162.96 25.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -173.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -98.83 131.04 45.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.34 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.701 ' CD1' HD23 ' A' ' 24' ' ' LEU . 79.8 m-85 -116.65 159.77 21.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.547 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -118.91 -10.43 9.89 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.771 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 77.9 mttt -124.97 134.27 52.68 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.64 -50.44 73.48 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 p -67.94 -35.81 79.05 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.33 -40.61 81.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.515 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.63 -39.01 80.94 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.427 171.449 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -45.32 88.07 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.266 -0.271 . . . . 0.0 110.41 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.33 -41.13 96.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -57.97 -38.86 76.82 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.596 0.236 . . . . 0.0 110.473 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -59.2 -35.21 73.2 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -56.02 -38.36 70.42 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.874 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -38.97 77.21 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.989 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -80.0 -26.91 39.68 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.284 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.396 169.732 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.657 ' HB3' HD22 ' A' ' 54' ' ' LEU . 96.4 m-85 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.628 0.252 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.63 156.22 47.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.148 169.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -94.24 151.61 19.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.1 m-85 -135.55 162.51 32.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.17 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -103.2 0.44 31.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.643 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -155.61 160.55 40.53 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.886 0.374 . . . . 0.0 110.97 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -44.56 96.28 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.45 -33.95 77.07 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -70.49 -40.96 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.703 0.287 . . . . 0.0 110.769 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 37' ' ' TYR . 25.2 tp -65.26 -41.1 94.61 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 172.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.61 -36.87 85.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.543 0.211 . . . . 0.0 111.067 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.63 -47.44 85.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 47.7 t-80 -60.9 -37.4 82.11 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.256 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -53.35 -38.07 62.96 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.866 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -55.35 -33.23 63.21 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.364 0.126 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.11 -33.57 76.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.176 0.191 . . . . 0.0 111.197 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -83.15 -38.44 22.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.732 0.301 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -86.77 -19.52 28.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.467 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.81 2.4 70.37 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 121.576 -0.345 . . . . 0.0 112.467 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.19 108.34 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.915 0.388 . . . . 0.0 110.795 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -112.72 90.38 15.01 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.85 -20.57 5.33 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.533 2.155 . . . . 0.0 113.367 -169.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -81.37 80.25 7.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.73 133.94 34.79 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.039 0.447 . . . . 0.0 111.25 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.69 124.62 22.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.261 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -10.05 6.16 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.79 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -64.83 1.1 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.19 0.196 . . . . 0.0 110.975 -173.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -106.01 2.66 27.54 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.456 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 64.56 16.62 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.85 0.46 . . . . 0.0 111.816 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -65.65 121.94 16.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.67 0.271 . . . . 0.0 110.531 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.87 123.82 33.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.946 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -114.1 162.47 16.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.448 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 p -99.42 -10.21 22.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -135.15 147.27 49.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -68.67 -39.19 80.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -63.17 -34.97 78.78 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -76.1 -38.43 56.95 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.849 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.7 tt -66.13 -41.76 90.04 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.539 0.209 . . . . 0.0 110.752 175.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -65.86 -36.27 82.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.747 0.308 . . . . 0.0 110.603 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -66.61 -49.27 66.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.632 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -61.96 -34.92 77.01 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -57.38 -41.48 80.29 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.604 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -65.8 -23.44 66.7 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.466 -0.146 . . . . 0.0 110.865 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -71.6 -27.7 63.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.911 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -91.4 -18.63 23.94 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.652 0.263 . . . . 0.0 110.843 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -98.49 -6.45 30.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.16 13.26 53.0 Favored Glycine 0 CA--C 1.547 2.078 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.442 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.96 96.98 5.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -122.95 84.76 50.5 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.396 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -85.57 -19.45 3.5 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.721 2.281 . . . . 0.0 113.155 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -81.8 80.37 8.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 -175.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 89.0 p -82.94 143.43 30.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.353 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.2 t -70.35 160.48 32.2 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.487 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 -134.8 13.35 3.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.552 -174.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -63.37 155.43 74.78 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 19.37 0.22 Allowed 'Trans proline' 0 CA--C 1.554 1.483 0 C-N-CA 122.926 2.418 . . . . 0.0 113.332 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 m -163.33 26.34 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 122.214 0.206 . . . . 0.0 110.939 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -147.97 160.59 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.174 0.512 . . . . 0.0 111.544 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -155.23 25.54 0.42 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.069 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -63.65 138.88 58.68 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.487 -175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 79.5 mttt -109.64 143.23 39.66 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.988 0.423 . . . . 0.0 111.438 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.79 162.63 25.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.385 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.5 3.9 43.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -136.71 136.76 39.29 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 110.617 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 23.7 p -58.0 -45.27 87.08 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.749 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.16 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.441 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.6 -41.63 95.13 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.98 -44.49 89.15 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.86 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.03 -43.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.156 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -62.42 -46.87 86.61 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.384 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -55.03 -49.84 70.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.79 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -56.83 -39.27 73.91 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.015 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -72.77 -15.67 61.65 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.567 0.222 . . . . 0.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtt -105.31 3.86 30.34 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.945 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.345 0.403 0 CA-C-O 120.673 0.273 . . . . 0.0 110.947 -172.56 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 65.4 m-85 . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.366 0.127 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.534 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -80.52 142.93 33.7 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 118.67 -1.212 . . . . 0.0 111.96 -173.403 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 52.8 t -64.11 167.74 6.15 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.526 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.41 -8.14 10.09 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.17 140.39 90.68 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.775 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.71 149.28 90.62 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.426 2.084 . . . . 0.0 112.028 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.9 -31.24 2.27 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.332 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -96.53 -94.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 122.356 0.262 . . . . 0.0 110.685 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 57.22 18.64 4.34 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 122.969 0.507 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.16 152.57 42.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.15 0.18 . . . . 0.0 110.587 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 36.4 mtm180 -98.57 127.04 44.35 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 -171.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.678 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.3 m-85 -104.3 170.06 8.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.761 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -120.46 -5.41 9.82 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.294 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 45.5 mttm -138.02 147.53 44.25 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.032 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.4 tt -75.06 -48.49 23.69 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.682 -175.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 p -68.05 -36.01 79.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.049 0.452 . . . . 0.0 111.805 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.91 -43.64 87.53 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.49 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -63.55 -32.31 73.73 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.641 170.29 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.7 -38.66 91.94 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.003 -0.435 . . . . 0.0 110.645 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.63 -42.2 95.64 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.14 -39.94 80.05 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.834 0.349 . . . . 0.0 110.427 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 m -59.31 -26.78 65.28 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.055 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.44 68.8 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.341 0.115 . . . . 0.0 110.747 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -56.41 -40.71 75.13 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.682 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.63 -4.72 57.67 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.63 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.346 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.701 ' HB3' HD22 ' A' ' 54' ' ' LEU . 79.6 m-85 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.79 0.328 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -132.68 154.51 50.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.921 0.391 . . . . 0.0 110.801 177.309 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -130.0 155.23 46.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.353 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 72.4 m-85 -136.3 164.84 27.16 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -173.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -103.14 -7.84 20.96 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.489 -175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm-85 -148.82 157.56 43.53 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -43.41 97.57 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.13 -35.22 79.91 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.363 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.16 -41.0 77.83 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.759 0.314 . . . . 0.0 110.525 177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 37' ' ' TYR . 10.9 tp -63.56 -44.29 94.56 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.661 173.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -60.66 -43.04 98.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.791 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -58.25 -47.43 83.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.628 0.252 . . . . 0.0 110.395 173.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 35.4 t-80 -60.71 -41.67 95.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.775 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -53.48 -38.22 63.44 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.27 63.26 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 122.218 -0.301 . . . . 0.0 110.933 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.14 -36.2 76.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.191 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -85.81 -31.75 22.14 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.564 0.221 . . . . 0.0 111.235 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -97.23 -11.88 23.65 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.91 8.06 57.04 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 121.621 -0.323 . . . . 0.0 112.705 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.41 136.54 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.055 0.455 . . . . 0.0 110.961 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -132.59 90.76 32.23 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.12 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 94.9 Cg_endo -85.53 -12.89 6.3 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.593 2.195 . . . . 0.0 112.883 -173.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.658 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 m-85 -95.25 123.89 39.0 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.06 140.0 53.39 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.603 0.239 . . . . 0.0 110.798 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.68 148.22 51.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.052 0.453 . . . . 0.0 110.609 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 10.51 37.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.195 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -58.84 1.26 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.839 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.8 p -105.37 0.48 26.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.154 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.07 22.47 11.68 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.734 0.414 . . . . 0.0 111.774 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -75.83 133.83 40.53 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.725 0.298 . . . . 0.0 110.543 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -96.62 147.81 23.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.188 0.518 . . . . 0.0 111.479 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -142.54 161.83 37.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.489 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 52.3 m -97.22 -2.04 43.65 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.558 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -137.08 134.71 36.78 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -63.65 -42.77 98.07 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.817 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.45 -42.17 91.37 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.79 -44.77 95.3 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.426 -0.171 . . . . 0.0 110.881 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -63.27 -45.53 91.06 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.48 0.181 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.51 -35.71 80.24 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.712 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.2 m -67.57 -49.76 61.67 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.437 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.68 -33.09 73.38 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.008 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -53.94 -40.43 66.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.815 0.446 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HD3' ' HB1' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -61.52 -22.63 65.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.657 -175.655 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 m -54.34 -38.66 66.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.557 0.343 . . . . 0.0 111.213 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -78.23 -22.31 48.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.743 0.306 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -91.71 -6.23 52.34 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 21.23 36.42 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 121.567 -0.349 . . . . 0.0 112.59 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 149.67 43.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -172.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -155.16 78.52 4.73 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.202 171.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.56 -20.26 10.91 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.512 2.141 . . . . 0.0 113.123 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.8 m-85 -83.38 75.97 9.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -175.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 37.7 t -78.9 144.71 34.63 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 175.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.419 ' HA ' HD11 ' A' ' 112' ' ' LEU . 47.7 t -70.05 151.87 45.02 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -118.39 7.04 11.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.964 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -65.5 150.05 96.44 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 120.667 0.27 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.86 24.85 0.29 Allowed 'Trans proline' 0 CA--C 1.552 1.407 0 C-N-CA 122.893 2.395 . . . . 0.0 113.002 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -163.41 21.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.909 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 20.1 t -148.44 173.81 12.71 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.2 13.78 0.05 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.662 175.038 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 130.82 38.87 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 120.808 0.337 . . . . 0.0 110.678 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 60.0 mtpt -98.35 137.4 37.11 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.111 -172.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -129.13 167.27 17.82 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.974 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.494 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -101.05 -11.84 19.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.405 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -130.83 143.61 50.86 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.129 0.49 . . . . 0.0 110.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.5 p -59.3 -41.42 88.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.56 -33.74 75.64 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -60.69 -42.53 97.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -66.19 -40.34 90.36 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.917 175.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.12 -47.65 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.182 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.2 -46.79 87.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -58.09 -47.84 81.99 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.931 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 60.2 m170 -56.63 -33.66 66.52 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.901 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -19.52 65.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 120.446 0.165 . . . . 0.0 111.117 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.1 mtt -77.63 -31.22 52.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.598 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.346 0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 110.416 177.058 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 120.404 0.145 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -136.39 151.26 49.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.016 0.436 . . . . 0.0 111.226 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.2 t -69.72 172.48 7.47 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.012 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -143.45 6.62 1.48 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.375 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -67.27 137.33 93.94 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.21 0.6 3.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.726 2.284 . . . . 0.0 113.586 -169.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.28 3.65 23.68 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.525 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -135.22 -89.27 0.34 Allowed 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.706 0.253 . . . . 0.0 111.195 -172.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.26 38.71 30.79 Favored 'General case' 0 CA--C 1.562 1.428 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.72 158.88 19.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -100.62 127.43 47.02 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.111 0.482 . . . . 0.0 111.304 -172.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.706 ' CD1' HD23 ' A' ' 24' ' ' LEU . 74.7 m-85 -111.87 169.98 8.46 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.216 1.006 . . . . 0.0 110.566 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -123.79 -25.22 4.32 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.498 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 10.2 mptt -109.09 129.08 55.47 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.289 0.235 . . . . 0.0 110.444 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.0 tp -52.68 -50.42 63.32 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 p -68.23 -37.68 81.09 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.17 -29.53 64.1 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.835 0.35 . . . . 0.0 110.187 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.41 -40.99 63.84 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.858 169.389 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.25 -43.38 87.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.7 mmt -59.14 -46.29 88.74 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.81 -42.8 84.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -58.93 -31.21 68.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.236 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -55.66 -38.32 69.44 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 121.359 -0.136 . . . . 0.0 110.683 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.47 -32.95 65.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -89.51 -20.41 23.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 122.707 0.403 . . . . 0.0 111.757 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.976 -172.762 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -132.85 157.91 43.86 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.775 0.322 . . . . 0.0 110.561 170.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.79 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.29 169.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -117.71 153.83 32.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.637 -174.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -137.72 164.68 28.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.947 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -100.92 -21.47 15.07 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' NH2' HE21 ' A' ' 53' ' ' GLN . 94.8 mtm-85 -131.3 150.18 52.26 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.996 0.427 . . . . 0.0 110.747 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -58.19 -37.74 75.36 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -67.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.289 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.454 HE21 ' NH2' ' A' ' 50' ' ' ARG . 80.4 mt-30 -65.63 -46.41 79.35 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.697 0.284 . . . . 0.0 110.354 174.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.34 -40.35 96.09 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.794 174.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.63 -42.43 91.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.593 0.357 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' HH11 ' A' ' 78' ' ' ARG . 6.4 mtp180 -56.98 -47.5 80.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 51.6 t-80 -60.94 -36.6 79.78 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.458 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -53.17 -38.12 62.5 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 120.552 0.215 . . . . 0.0 110.817 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -55.27 -33.06 62.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.477 0.18 . . . . 0.0 111.117 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HD3' ' N ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -65.52 -31.53 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.59 0.233 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -95.63 -4.42 44.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -134.65 -6.21 2.5 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -169.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.61 1.2 Allowed Glycine 0 CA--C 1.538 1.5 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.9 t 67.84 -67.52 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 123.456 0.702 . . . . 0.0 111.685 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt 46.55 73.8 0.92 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 122.692 0.397 . . . . 0.0 110.736 -170.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.18 -17.92 30.95 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.769 2.313 . . . . 0.0 113.615 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.4 m-85 -83.78 132.7 34.81 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -124.55 139.88 53.47 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 122.365 -0.209 . . . . 0.0 110.9 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.44 148.62 50.15 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.038 0.447 . . . . 0.0 110.298 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -90.09 2.45 55.24 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.604 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.57 -76.76 0.57 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.447 -173.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.7 p -87.3 -2.17 58.43 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 122.477 0.311 . . . . 0.0 111.367 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 62.38 24.42 14.54 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.79 0.436 . . . . 0.0 111.487 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.25 126.96 31.21 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 173.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -89.77 141.82 28.26 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.067 0.461 . . . . 0.0 111.175 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -131.88 161.66 32.49 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.345 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.5 p -99.36 -8.16 25.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.529 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.421 HH11 ' NH1' ' A' ' 56' ' ' ARG . 39.4 mtm180 -138.14 142.89 40.12 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.012 0.435 . . . . 0.0 110.921 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -63.82 -35.91 82.16 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.788 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.27 -40.95 96.0 Favored 'General case' 0 CA--C 1.568 1.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.926 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -65.08 -46.29 81.71 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 122.51 -0.119 . . . . 0.0 110.826 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -61.55 -45.78 92.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.518 0.199 . . . . 0.0 110.841 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -65.65 -34.57 78.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.755 0.312 . . . . 0.0 110.675 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -65.5 -49.42 69.08 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.634 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.79 -38.15 84.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.8 m -54.21 -41.2 68.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.806 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -62.34 -23.01 66.54 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.924 -0.125 . . . . 0.0 111.176 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 p -67.78 -37.52 82.16 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.391 0.139 . . . . 0.0 110.926 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -80.21 -23.02 41.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.482 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.77 -5.93 52.68 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.68 22.21 52.53 Favored Glycine 0 CA--C 1.545 1.932 0 C-N-CA 121.62 -0.324 . . . . 0.0 112.343 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.37 97.74 9.65 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.87 0.367 . . . . 0.0 110.77 -173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -122.59 83.78 48.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.518 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -85.88 -25.68 1.42 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.709 2.272 . . . . 0.0 113.048 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -73.4 82.3 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.879 0.371 . . . . 0.0 110.779 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -87.46 139.76 30.22 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.19 134.67 48.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -103.2 10.33 37.8 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.124 -174.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -64.84 151.03 93.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 120.782 0.325 . . . . 0.0 110.69 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.28 9.44 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 122.857 2.371 . . . . 0.0 113.151 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -145.25 18.85 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 122.212 0.205 . . . . 0.0 111.19 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -147.1 157.15 43.51 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -148.49 23.21 1.02 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.076 170.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.8 mtmm -67.48 143.89 55.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -176.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -119.18 140.17 50.61 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.003 0.43 . . . . 0.0 111.453 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.49 162.67 23.48 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.533 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.85 0.28 43.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.242 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -135.96 142.83 44.61 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.246 0.546 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.676 ' O ' HG13 ' A' ' 113' ' ' VAL . 28.6 p -61.23 -43.69 98.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.954 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -67.44 -33.51 75.3 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 122.171 0.189 . . . . 0.0 111.43 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.6 -41.21 94.31 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.022 -0.424 . . . . 0.0 109.936 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.38 -44.15 75.8 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.08 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 109' ' ' SER . 15.7 m -58.25 -43.2 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 120.86 0.362 . . . . 0.0 110.207 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.72 -47.06 85.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 71.7 t60 -55.07 -48.74 73.09 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.76 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -57.23 -39.76 76.19 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.855 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -15.73 63.54 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.143 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 57.3 mtt -111.31 5.34 19.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.443 0.297 . . . . 0.0 110.993 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 110.904 -173.314 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 120.472 0.177 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ptm -136.45 156.3 48.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 169.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -67.45 153.51 43.53 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.691 173.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.65 -10.08 14.51 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.785 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -68.18 122.35 83.76 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.83 71.31 2.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 123.006 2.471 . . . . 0.0 112.529 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.45 -22.91 0.08 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.4 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 t -104.19 -74.56 0.64 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.682 0.393 . . . . 0.0 110.092 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 48.67 41.78 18.31 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.413 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -82.49 157.73 23.48 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.608 175.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.72 127.29 44.6 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.135 0.493 . . . . 0.0 111.317 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -111.65 170.04 8.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 123.991 0.916 . . . . 0.0 110.465 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.55 -26.25 4.59 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.583 -175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 30.0 mtmm -109.04 123.23 48.82 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.731 0.301 . . . . 0.0 110.33 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -49.02 62.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.129 -176.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 m -68.3 -36.67 79.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.522 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.08 -29.39 65.23 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.746 0.308 . . . . 0.0 110.283 -179.284 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.16 -43.6 61.26 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.962 169.76 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.3 -38.75 77.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.383 -0.198 . . . . 0.0 110.658 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.61 94.11 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.699 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -57.89 -41.93 83.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.78 65.88 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.581 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -55.52 -38.34 69.1 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.47 -36.6 69.27 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.708 0.29 . . . . 0.0 110.896 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -89.9 -16.89 29.07 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 122.999 0.519 . . . . 0.0 112.037 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.39 -169.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.632 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -132.69 147.9 52.34 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.519 0.199 . . . . 0.0 110.624 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.546 0.802 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.404 169.829 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 148.31 27.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.742 -176.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.8 m-85 -138.5 164.77 28.55 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.001 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -109.06 -20.43 13.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.491 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.65 146.47 44.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.05 0.452 . . . . 0.0 110.575 173.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.5 t -60.64 -36.84 79.66 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.413 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.51 -36.66 83.26 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.351 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.53 -50.84 71.06 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.1 tp -60.62 -44.25 96.56 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -47.16 84.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.288 0.235 . . . . 0.0 110.931 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.04 -47.46 80.87 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 54.0 t-80 -60.77 -36.75 79.75 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.601 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.09 -38.26 62.41 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.703 0.287 . . . . 0.0 110.454 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -55.13 -32.99 62.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.087 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -55.76 -33.14 64.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.52 0.328 . . . . 0.0 111.49 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -32.05 9.0 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.634 0.255 . . . . 0.0 111.251 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.2 p -86.52 -5.26 59.19 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -173.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.8 7.94 45.04 Favored Glycine 0 CA--C 1.544 1.853 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.793 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG12 ' HD3' ' A' ' 66' ' ' PRO . 46.2 t -70.02 106.02 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.906 -175.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -117.03 83.84 15.51 Favored Pre-proline 0 N--CA 1.475 0.809 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.12 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 64' ' ' VAL . 86.3 Cg_endo -82.88 -14.6 8.68 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.619 2.213 . . . . 0.0 113.12 -171.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 82' ' ' LEU . 69.8 m-85 -89.06 130.21 35.56 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -124.14 141.27 52.2 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.46 148.36 50.73 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.021 0.438 . . . . 0.0 110.418 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 6.56 47.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.866 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.62 -64.28 1.12 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.744 -172.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.6 p -96.61 -6.39 36.87 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.352 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 19.68 10.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.894 0.478 . . . . 0.0 111.438 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -74.66 130.33 39.32 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.845 0.355 . . . . 0.0 110.472 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -92.65 144.56 25.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 111.183 -177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -134.84 159.86 40.04 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 23.9 p -98.33 0.02 44.71 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.529 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -135.24 134.09 39.66 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 p -64.0 -39.82 94.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.665 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -64.74 -42.04 95.47 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.82 -42.21 97.69 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 122.435 -0.166 . . . . 0.0 110.853 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.769 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.2 tt -64.32 -46.7 82.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.412 0.149 . . . . 0.0 110.705 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.42 -34.27 76.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.724 0.297 . . . . 0.0 110.561 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.7 m -66.95 -49.61 64.92 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -54.12 -40.76 67.62 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.92 -27.49 68.86 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.062 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.6 m -62.63 -35.96 81.28 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.395 0.14 . . . . 0.0 111.017 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -86.27 -25.1 25.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.671 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 m -91.68 -6.01 52.78 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.54 15.57 47.15 Favored Glycine 0 CA--C 1.546 2.016 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.365 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.57 90.67 3.92 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.015 0.436 . . . . 0.0 110.808 -174.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -117.77 83.7 18.69 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.474 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -84.48 -17.74 5.15 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.645 2.23 . . . . 0.0 113.051 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.855 0.36 . . . . 0.0 110.99 -175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 m -80.25 140.91 36.01 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.994 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.7 t -70.2 139.3 52.29 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 8.64 33.53 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.58 152.36 86.04 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 120.726 0.298 . . . . 0.0 110.764 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.65 4.64 2.91 Favored 'Trans proline' 0 CA--C 1.547 1.172 0 C-N-CA 122.819 2.346 . . . . 0.0 113.105 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -143.11 25.39 1.75 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -153.19 157.4 40.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 111.195 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -148.38 22.55 1.05 Allowed 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.065 169.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.2 mtmm -65.42 135.76 55.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.479 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 16.6 ptmt -111.79 136.24 51.33 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 111.549 -169.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -119.92 164.9 15.36 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.527 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.07 0.11 34.38 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.175 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -133.84 139.94 46.57 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 110.744 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -59.39 -43.68 92.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.885 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.48 -33.69 75.64 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.523 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -60.76 -42.77 98.13 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.62 -41.84 92.26 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.964 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.5 t -58.11 -47.63 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.28 -46.74 87.71 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.549 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.442 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 61.3 t60 -54.9 -50.12 69.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.711 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.06 -38.62 73.52 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.882 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -15.68 63.56 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.083 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.7 mtt -114.56 9.77 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.934 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.345 0.373 0 CA-C-O 120.772 0.32 . . . . 0.0 110.978 -174.325 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.211 -0.969 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.8 ptm -136.44 151.44 49.5 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.068 0.461 . . . . 0.0 111.359 169.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.8 t -71.88 167.07 20.81 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.324 169.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.59 -1.4 7.42 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.309 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -68.66 123.9 88.87 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -52.51 -28.02 34.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.888 2.392 . . . . 0.0 113.667 -173.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -0.32 86.41 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.54 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 22.7 t -130.33 -85.74 0.52 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 122.562 0.345 . . . . 0.0 110.658 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 23.85 14.11 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 122.727 0.411 . . . . 0.0 111.431 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HE3' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -81.69 167.25 19.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.722 0.296 . . . . 0.0 110.986 -176.624 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.43 133.77 52.67 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.163 0.506 . . . . 0.0 111.393 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.725 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.5 m-85 -118.81 168.28 10.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.978 0.911 . . . . 0.0 110.851 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -114.58 -52.65 2.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -77.22 118.41 19.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -48.04 -49.81 30.05 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.803 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.7 p -67.94 -35.6 78.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -35.08 74.91 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.923 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -72.99 -36.77 67.11 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 172.289 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -48.55 80.9 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.11 -0.369 . . . . 0.0 110.058 174.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.18 -47.13 82.01 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -57.79 -41.55 82.32 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.523 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -59.45 -36.67 76.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -56.37 -37.95 70.76 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.638 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.3 -33.72 65.82 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.665 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.23 -21.36 50.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.363 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 178.243 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.452 ' HB3' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -132.71 154.18 50.42 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.71 0.29 . . . . 0.0 110.955 170.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.7 t . . . . . 0 CA--C 1.545 0.767 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.676 172.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 120.794 0.331 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -121.59 153.9 37.46 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.6 m-85 -135.94 164.6 27.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.183 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -105.95 0.4 25.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.608 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -148.48 153.81 38.97 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.885 0.374 . . . . 0.0 111.007 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -61.64 -44.59 96.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.861 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -62.71 -33.98 76.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -72.52 -43.11 64.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.558 0.218 . . . . 0.0 110.721 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.5 tp -59.95 -43.38 95.06 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 171.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.83 -44.99 94.68 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.176 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.15 -45.3 93.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.665 0.269 . . . . 0.0 110.326 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 t60 -60.74 -38.72 86.11 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.18 -35.29 59.66 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.732 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -54.78 -33.28 61.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.746 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -55.65 -47.64 76.31 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.087 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -71.1 -31.53 67.91 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.974 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -71.02 -21.85 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.247 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 -5.27 8.61 Favored Glycine 0 CA--C 1.554 2.491 0 C-N-CA 121.686 -0.292 . . . . 0.0 113.032 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.0 t -76.19 137.2 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -119.42 85.38 31.39 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.201 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.9 -21.12 7.12 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.639 2.226 . . . . 0.0 113.211 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -77.88 83.07 4.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 120.847 0.356 . . . . 0.0 110.667 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -90.71 131.32 36.46 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.761 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.1 t -64.67 126.64 28.55 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.302 0.572 . . . . 0.0 111.354 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -7.55 7.3 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.662 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -65.81 1.02 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.302 0.241 . . . . 0.0 110.805 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 21.1 p -109.93 1.29 19.02 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 120.658 0.266 . . . . 0.0 111.574 -173.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 66.37 14.4 9.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.259 0.624 . . . . 0.0 111.78 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -56.09 118.14 4.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 169.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 140.42 29.53 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.031 0.443 . . . . 0.0 111.006 -175.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -134.08 163.99 28.34 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.287 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 p -99.57 -9.26 23.45 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.35 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -137.0 148.39 46.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.042 0.448 . . . . 0.0 111.162 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 p -69.65 -40.34 76.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.04 -34.91 78.58 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-O 120.545 0.212 . . . . 0.0 110.988 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -66.67 -46.57 75.23 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.75 -47.56 83.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.624 0.25 . . . . 0.0 110.979 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -62.31 -34.39 76.52 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.507 0.323 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 m -68.6 -49.58 58.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.597 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -62.51 -30.83 71.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.5 m -54.15 -40.23 67.23 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -61.61 -22.82 65.57 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.861 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.42 -39.35 67.24 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.014 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -19.9 20.0 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 120.519 0.2 . . . . 0.0 111.061 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -91.66 -6.25 52.45 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.6 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.88 9.63 41.07 Favored Glycine 0 CA--C 1.545 1.911 0 C-N-CA 121.299 -0.476 . . . . 0.0 112.861 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -80.79 99.3 8.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.871 0.367 . . . . 0.0 110.99 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.46 84.87 36.57 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.73 -24.78 2.15 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.557 2.171 . . . . 0.0 112.909 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -75.93 80.58 2.81 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -85.46 139.69 31.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.42 161.07 31.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 5.98 10.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.165 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -70.89 158.48 87.99 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.19 110.12 0.33 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.188 2.592 . . . . 0.0 113.194 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.0 t 59.97 20.31 9.37 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.047 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' CE ' ' A' ' 104' ' ' LYS . 32.0 t -80.29 -84.72 0.09 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.579 0.228 . . . . 0.0 110.643 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.55 18.73 11.35 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.944 0.498 . . . . 0.0 111.48 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.437 ' CE ' ' SG ' ' A' ' 102' ' ' CYS . 46.4 mtmt -65.63 134.17 52.71 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -109.36 144.93 36.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.046 0.451 . . . . 0.0 111.742 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -128.34 162.75 26.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.58 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.04 -1.62 39.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -134.19 140.59 46.61 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 p -57.31 -45.52 84.13 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.755 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -67.17 -33.7 75.96 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.442 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.68 -41.56 95.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.13 -43.37 87.3 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.957 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.06 -41.52 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.321 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.63 -46.89 80.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -54.42 -49.22 70.47 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.66 -41.02 76.52 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -71.0 -15.59 62.58 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.231 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.6 mtt -107.32 3.43 25.38 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.008 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 111.052 -172.725 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--O 1.215 -0.732 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -136.66 154.38 50.65 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.982 0.42 . . . . 0.0 111.586 169.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 46.4 t -77.68 -178.4 5.32 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.243 169.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -132.41 -16.39 2.72 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.32 133.07 95.53 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-O 120.445 0.164 . . . . 0.0 110.686 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.54 -33.39 57.81 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.703 2.269 . . . . 0.0 113.184 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.82 7.86 64.65 Favored Glycine 0 CA--C 1.547 2.033 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.742 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -147.56 -89.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.393 0.277 . . . . 0.0 110.717 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.74 39.51 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -175.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 172.02 7.96 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.862 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -101.98 137.45 40.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 111.87 -170.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.71 ' CD1' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -119.07 168.33 10.93 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.702 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -123.71 -30.77 3.54 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.725 -174.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 6.3 mptp? -100.69 118.48 36.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.793 0.33 . . . . 0.0 110.347 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -46.87 -52.7 13.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 p -68.11 -35.83 78.77 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.521 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.71 -36.09 79.98 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.71 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -70.59 -44.07 68.09 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.057 171.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.23 -41.5 84.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.344 -0.222 . . . . 0.0 110.779 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.46 82.71 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.703 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.9 -39.23 77.4 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.562 0.22 . . . . 0.0 110.48 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -59.09 -35.0 72.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.946 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -38.6 70.28 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.39 -34.08 66.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.247 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -84.05 -28.83 27.35 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.563 177.102 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.731 ' HB3' HD22 ' A' ' 54' ' ' LEU . 68.3 m-85 . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.777 0.322 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -132.64 156.74 46.38 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.54 0.562 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 177.842 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -130.88 151.35 51.41 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.3 m-85 -140.39 164.64 29.58 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.178 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 p -113.24 7.06 17.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.593 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -156.2 153.2 28.83 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 111.064 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 m -56.23 -44.48 79.64 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.616 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.98 -38.26 90.41 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.313 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -61.43 -49.77 75.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.672 0.272 . . . . 0.0 110.272 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.6 tp -61.46 -46.38 90.31 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.85 -42.29 98.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.083 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.68 -46.13 91.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.63 -39.91 90.01 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.128 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -53.32 -37.31 62.16 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.215 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -55.22 -33.21 62.89 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 122.511 -0.118 . . . . 0.0 111.047 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -60.38 -34.09 73.4 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.157 0.183 . . . . 0.0 111.36 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -90.55 -41.54 11.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.725 0.298 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -77.88 -16.37 58.31 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.355 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.44 7.01 67.27 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 121.661 -0.304 . . . . 0.0 113.041 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.83 137.33 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.03 0.443 . . . . 0.0 111.011 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.44 77.92 75.14 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.103 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.3 -14.96 22.83 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.668 2.246 . . . . 0.0 113.133 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.651 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.0 m-85 -89.61 126.84 35.78 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -124.33 132.69 53.56 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t -64.78 124.14 21.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.524 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -11.74 19.31 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.62 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.99 -74.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.335 0.254 . . . . 0.0 110.829 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.72 1.03 56.65 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 64.91 17.35 11.0 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.638 0.375 . . . . 0.0 111.435 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -66.45 122.27 17.17 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-O 120.811 0.339 . . . . 0.0 110.279 175.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -89.4 146.07 24.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.306 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -141.5 161.83 36.96 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.423 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -101.93 -3.41 27.88 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.667 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.34 130.35 36.83 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.4 t -58.07 -39.39 78.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.74 -34.99 79.46 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.538 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -75.86 -34.77 60.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.9 -0.136 . . . . 0.0 110.86 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -67.29 -46.9 72.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.622 0.249 . . . . 0.0 110.616 174.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -61.91 -34.38 75.95 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.723 0.297 . . . . 0.0 110.613 176.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 -49.5 56.81 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -61.97 -32.4 72.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.0 m -54.14 -41.1 68.05 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -62.01 -23.23 66.3 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.475 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -67.39 -29.35 68.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.893 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -92.99 -23.49 18.67 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.682 0.277 . . . . 0.0 110.751 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 m -91.85 -6.07 52.24 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.382 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.7 16.08 49.91 Favored Glycine 0 CA--C 1.546 2.002 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.483 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 95.51 5.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.719 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -121.5 79.34 37.73 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.471 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.38 -17.97 6.16 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.629 2.22 . . . . 0.0 113.034 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.75 77.44 9.5 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.0 p -78.81 143.85 35.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.0 t -70.48 161.27 30.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.142 0.496 . . . . 0.0 111.098 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -123.48 7.16 8.95 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.863 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.22 158.66 83.68 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 120.816 0.341 . . . . 0.0 111.009 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.95 113.54 1.13 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.831 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t 61.13 27.96 17.69 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.822 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 36.9 t -79.96 171.19 15.43 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-O 121.131 0.491 . . . . 0.0 110.746 172.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.451 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -161.74 24.4 0.12 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.665 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.78 140.73 30.15 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 120.692 0.282 . . . . 0.0 110.535 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -128.51 146.49 50.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.925 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -129.39 162.9 26.98 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.82 34.04 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.103 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -134.18 142.25 47.36 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.661 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.7 p -57.83 -45.12 86.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.674 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.32 -33.65 75.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.699 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.81 -38.36 85.12 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 97' ' ' CYS . 58.2 tp -67.53 -43.25 81.23 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.803 174.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.02 -41.64 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.161 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.09 85.18 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.419 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.53 -49.09 73.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.804 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.62 -39.6 73.91 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.946 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -72.4 -15.56 61.84 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 120.494 0.187 . . . . 0.0 111.208 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.3 mtp -103.94 -1.76 27.15 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.965 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.346 0.418 0 CA-C-O 120.681 0.277 . . . . 0.0 111.107 -171.48 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 C--O 1.213 -0.859 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.4 ptm -103.67 144.21 31.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.197 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 t -80.19 141.99 35.12 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.007 171.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.74 11.46 2.69 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -63.71 119.47 54.63 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -48.31 106.86 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.711 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.68 -39.12 1.98 Allowed Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -170.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.76 173.71 6.22 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.068 0.547 . . . . 0.0 110.719 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.71 117.67 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.292 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -154.1 173.7 15.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.347 0.118 . . . . 0.0 110.898 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -136.59 133.76 36.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.698 ' CD1' HD23 ' A' ' 24' ' ' LEU . 93.1 m-85 -130.27 163.53 26.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.591 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -120.02 -44.35 2.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 1.8 tptm -77.06 112.64 13.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.564 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 21' ' ' LEU . 5.4 tt -43.91 -49.67 8.33 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.85 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 p -68.05 -35.5 78.34 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -72.44 -34.67 67.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.989 -178.789 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.14 -38.19 66.36 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.618 170.618 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.23 87.16 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.6 tpt -63.02 -47.61 82.35 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.07 -41.27 83.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.624 0.25 . . . . 0.0 110.646 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 m -59.24 -28.17 66.46 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -55.35 -38.34 68.65 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.81 -177.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.5 -34.01 68.63 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.619 0.247 . . . . 0.0 110.963 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -89.84 -2.73 58.28 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.903 0.481 . . . . 0.0 112.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.486 1.355 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.271 177.809 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.648 ' HB3' HD22 ' A' ' 54' ' ' LEU . 15.3 m-85 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 157.16 16.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.916 0.388 . . . . 0.0 110.755 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.535 0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.591 171.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.17 147.26 51.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.079 177.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.17 164.78 29.15 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.584 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -105.37 -12.23 16.12 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.615 0.245 . . . . 0.0 111.49 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.25 143.86 49.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 110.59 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -58.54 -37.97 76.8 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.55 -42.71 97.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.066 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.78 -50.98 70.17 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.436 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 37' ' ' TYR . 44.9 tp -62.76 -46.64 87.1 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.933 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.02 -41.07 97.57 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.376 0.27 . . . . 0.0 111.124 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -63.46 -47.13 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -60.56 -36.49 78.61 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.105 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.18 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.395 0.278 . . . . 0.0 110.777 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -55.45 -32.9 63.14 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.719 -0.218 . . . . 0.0 111.488 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -55.69 -34.61 65.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.047 0.139 . . . . 0.0 111.29 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.17 -44.81 11.22 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.643 0.258 . . . . 0.0 110.942 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -77.19 -14.32 59.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 -173.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.92 3.51 60.16 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.913 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.88 124.19 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.818 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -124.53 78.76 62.45 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.233 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.0 -20.38 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.698 2.265 . . . . 0.0 113.039 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -79.07 79.54 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.786 0.327 . . . . 0.0 110.648 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -90.81 130.5 36.77 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.864 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.77 125.52 25.06 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.189 0.518 . . . . 0.0 111.048 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -2.21 1.59 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.035 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -61.65 1.56 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.242 0.217 . . . . 0.0 111.001 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.4 p -113.66 4.11 15.92 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.439 -172.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 62.32 17.88 9.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.996 0.518 . . . . 0.0 111.869 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -57.49 107.49 0.44 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -88.01 133.78 33.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -129.05 162.54 27.42 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.352 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -104.43 4.89 33.76 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -136.62 137.98 40.7 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.3 p -71.7 -35.51 70.25 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.72 -37.5 82.29 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.002 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -64.64 -45.26 87.54 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 172.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.3 tt -64.61 -46.69 81.56 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.488 0.185 . . . . 0.0 111.009 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.31 -34.22 77.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.711 0.291 . . . . 0.0 110.676 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.7 m -69.14 -49.68 54.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.648 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.4 -32.86 73.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.818 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 m -53.94 -40.25 66.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.967 0.507 . . . . 0.0 110.786 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 86.7 mtt-85 -61.89 -22.77 65.84 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.22 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.2 m -54.34 -35.54 62.83 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.46 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -94.93 -33.46 12.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.359 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 18.9 p -91.4 -6.14 53.32 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.144 -169.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.97 2.29 30.02 Favored Glycine 0 CA--C 1.547 2.061 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.009 173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.75 92.93 0.91 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.937 0.368 . . . . 0.0 110.627 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -119.31 82.34 23.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.29 -18.19 8.63 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.671 2.247 . . . . 0.0 113.226 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.97 79.48 8.48 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.926 0.393 . . . . 0.0 110.992 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 t -78.7 146.02 34.21 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.7 t -70.39 161.26 30.8 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.362 169.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -125.78 5.34 7.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.803 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -64.26 149.62 94.14 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.771 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.12 23.34 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 123.032 2.488 . . . . 0.0 113.129 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 m -162.54 27.07 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.342 0.257 . . . . 0.0 110.771 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.8 t -139.04 152.7 47.8 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-O 121.086 0.47 . . . . 0.0 111.183 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -146.6 32.54 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.923 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -80.91 143.16 32.88 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -118.82 142.71 47.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.55 161.72 26.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.584 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.16 -0.97 37.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -133.03 139.13 47.05 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.13 0.49 . . . . 0.0 110.747 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -57.1 -44.72 83.46 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.654 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.61 -33.38 74.87 Favored 'General case' 0 CA--C 1.558 1.264 0 O-C-N 122.251 -0.281 . . . . 0.0 111.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -40.98 96.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.9 tp -65.56 -44.3 87.21 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.856 173.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.8 -41.41 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 120.81 0.338 . . . . 0.0 110.34 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.87 -46.85 80.07 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.538 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -54.53 -49.49 70.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.724 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.74 -39.49 74.05 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -17.0 63.71 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.102 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -108.74 3.76 23.0 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.03 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.379 0 CA-C-O 120.66 0.267 . . . . 0.0 111.017 -172.691 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 C--O 1.211 -0.961 0 N-CA-C 110.437 -0.208 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.4 mtp -135.93 143.57 45.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.951 0.405 . . . . 0.0 110.666 169.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.45 158.72 23.11 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.354 171.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.97 20.04 3.02 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -85.91 122.44 72.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 171.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.73 96.59 0.25 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.385 2.057 . . . . 0.0 111.631 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.11 -22.27 1.25 Allowed Glycine 0 CA--C 1.543 1.843 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -169.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.0 -79.81 0.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.896 0.479 . . . . 0.0 110.257 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 56.7 40.8 29.01 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 122.82 0.448 . . . . 0.0 111.469 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -99.95 167.73 10.31 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.919 0.39 . . . . 0.0 111.262 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -99.4 127.19 45.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.522 -171.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 24' ' ' LEU . 86.8 m-85 -103.44 167.17 9.98 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.818 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -129.39 47.42 2.49 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.357 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 14.2 mttt -179.84 142.85 0.17 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.095 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.53 -55.67 14.44 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.773 0.32 . . . . 0.0 110.365 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -67.97 -35.68 78.79 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.974 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.91 -32.57 65.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.105 -179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.0 -32.9 65.44 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.737 169.519 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -41.81 92.92 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.095 -0.378 . . . . 0.0 110.385 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 mmt -59.29 -49.85 76.26 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -58.22 -33.98 69.9 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.154 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -60.97 -35.25 76.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -56.31 -38.47 71.31 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.92 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -30.93 66.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.497 0.189 . . . . 0.0 111.027 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.64 -21.18 22.91 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.671 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.478 0.951 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.223 171.603 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 54' ' ' LEU . 39.2 m-85 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.52 157.71 43.96 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.813 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.511 175.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 148.24 40.13 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.554 -178.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 70.4 m-85 -139.06 139.25 37.72 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.408 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.3 m -81.91 -4.19 56.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.272 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -134.41 136.38 43.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.583 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -56.4 -41.51 76.42 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.619 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.82 -36.47 76.86 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.354 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -72.76 -34.23 66.86 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.1 tp -64.21 -48.92 74.04 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.502 169.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.94 -44.22 82.3 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.679 0.276 . . . . 0.0 110.833 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.14 -47.38 85.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 175.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 57.2 t60 -60.72 -43.19 98.16 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.38 -32.06 47.64 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -54.91 -33.26 61.91 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 122.349 -0.219 . . . . 0.0 110.628 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -42.41 96.5 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.179 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -86.53 -7.3 58.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.455 -173.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.2 p -122.11 -2.96 9.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.561 -171.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.24 5.51 21.56 Favored Glycine 0 CA--C 1.55 2.227 0 C-N-CA 121.515 -0.374 . . . . 0.0 113.079 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.91 118.13 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.8 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -122.39 87.2 48.6 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 83.3 Cg_endo -85.06 -11.99 7.27 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.577 2.185 . . . . 0.0 112.927 -172.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.822 ' HB3' HD13 ' A' ' 82' ' ' LEU . 71.7 m-85 -94.39 127.01 40.0 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.13 141.28 52.19 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.623 0.249 . . . . 0.0 110.943 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.9 t -64.49 148.29 50.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.102 0.477 . . . . 0.0 110.318 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -86.21 -3.25 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 -77.06 0.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.782 -169.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.74 -2.43 57.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.618 0.247 . . . . 0.0 111.246 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 58.17 33.39 23.11 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.719 0.408 . . . . 0.0 111.026 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -72.3 130.8 41.64 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 170.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.09 140.06 33.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.995 0.426 . . . . 0.0 110.846 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.66 157.8 45.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 71.2 m -97.04 -3.15 41.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.478 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -132.82 130.37 39.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -176.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.6 p -63.5 -35.03 79.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.241 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.46 -46.43 79.86 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.953 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -63.85 -39.03 93.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.247 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.9 tt -62.55 -47.09 85.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.404 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.32 -34.24 76.25 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.3 m -69.65 -49.49 53.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.705 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -60.7 -37.06 80.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -53.87 -39.41 65.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -61.61 -27.82 68.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.481 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 m -54.5 -43.38 71.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 120.574 0.226 . . . . 0.0 111.179 173.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -84.77 -18.43 35.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.948 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.75 -2.85 56.78 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.05 23.19 59.14 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.423 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.82 133.39 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 -174.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -144.37 81.47 11.28 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.43 -23.86 11.15 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.466 2.111 . . . . 0.0 113.08 -171.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.2 m-85 -80.59 79.83 7.14 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.6 m -84.78 140.99 30.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.0 t -70.42 161.29 30.78 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -114.89 -84.66 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.513 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.405 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.6 m95 55.03 176.28 0.04 OUTLIER Pre-proline 0 CA--C 1.577 2.006 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 173.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 91.4 Cg_exo -53.67 -33.56 70.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.31 2.007 . . . . 0.0 112.624 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -167.75 75.49 0.14 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 37.9 t -138.08 160.31 39.71 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.063 0.459 . . . . 0.0 111.122 177.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.414 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 21.4 mm-40 -150.38 21.61 0.83 Allowed 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.61 128.2 34.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -108.46 140.6 41.55 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.318 -170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.3 160.88 32.58 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.57 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.36 -0.93 40.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -133.52 139.13 46.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.651 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.2 p -61.02 -40.69 94.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.42 -33.63 75.56 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.47 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -60.86 -42.55 98.07 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.2 tp -66.4 -40.12 89.42 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.983 175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.13 -46.44 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.74 -46.98 87.26 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.779 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.77 -40.39 75.77 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.816 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -16.4 62.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 0.0 111.059 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 40.8 ttm -105.48 2.01 28.16 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.115 -172.152 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.3 ttp -97.73 138.83 34.52 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.38 155.12 15.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.55 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.69 -12.71 12.15 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.43 116.46 40.22 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-O 120.493 0.187 . . . . 0.0 110.577 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -64.56 104.82 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.363 2.042 . . . . 0.0 111.257 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.57 -23.98 2.33 Favored Glycine 0 CA--C 1.539 1.568 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 10.7 t -126.37 -80.47 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.082 0.553 . . . . 0.0 110.311 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.97 37.67 29.11 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.694 0.398 . . . . 0.0 111.488 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -90.0 162.51 15.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.906 0.384 . . . . 0.0 111.238 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -98.7 141.7 31.19 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 111.425 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.661 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -127.83 164.21 22.7 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.197 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.69 -8.14 10.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 72.7 mmtt -125.59 135.53 52.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -47.38 86.7 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.084 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 p -68.14 -35.89 78.81 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -77.09 -35.67 56.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.853 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -68.4 -36.73 79.55 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.917 169.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -42.73 86.74 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 175.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.7 tpt -61.88 -44.47 96.74 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.487 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -58.11 -36.06 72.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.846 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -59.22 -35.21 73.22 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.546 0.212 . . . . 0.0 110.9 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -56.03 -38.25 70.3 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.36 -32.58 70.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.438 -177.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 27.1 m-70 -77.94 -21.45 51.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.204 173.133 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 54' ' ' LEU . 97.2 m-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -132.54 150.85 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.142 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 42.5 t . . . . . 0 CA--C 1.547 0.847 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 120.79 0.329 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -95.21 156.64 16.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.4 m-85 -135.66 164.75 27.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.2 p -107.8 4.66 25.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -163.8 155.42 16.72 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.752 0.31 . . . . 0.0 110.694 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -44.17 81.9 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.6 -42.8 75.36 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.324 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.24 -37.37 66.38 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.089 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -64.06 -48.56 75.75 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.795 0.331 . . . . 0.0 110.563 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -58.71 -42.57 88.95 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.572 0.349 . . . . 0.0 110.967 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.01 -45.17 91.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 44.7 t-80 -60.87 -36.91 80.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.259 -179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -53.37 -38.09 63.02 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.475 0.179 . . . . 0.0 110.786 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.53 -33.21 63.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.961 -0.109 . . . . 0.0 111.217 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.49 -35.92 82.5 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.167 0.187 . . . . 0.0 111.222 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -82.51 -43.96 16.53 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -73.77 -25.31 60.09 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.01 2.38 86.85 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-N 116.562 -0.29 . . . . 0.0 112.476 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.41 130.77 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.114 0.483 . . . . 0.0 111.052 -174.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -129.55 80.43 71.88 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.141 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.6 -8.85 17.2 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.731 2.288 . . . . 0.0 112.825 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.3 m-85 -96.92 75.16 2.66 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.737 0.304 . . . . 0.0 110.594 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.553 ' NE2' ' H ' ' A' ' 68' ' ' GLN . 1.9 pm0 -91.1 136.41 33.1 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -64.69 129.56 40.26 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.232 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -9.11 15.29 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.624 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 -60.52 1.52 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.288 0.235 . . . . 0.0 110.907 -175.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.03 1.66 13.3 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.408 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 65.09 14.58 9.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 122.787 0.435 . . . . 0.0 111.772 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -51.59 108.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 170.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -87.87 135.62 33.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.44 -170.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -132.14 161.4 33.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -108.41 2.2 22.24 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -137.51 120.71 16.8 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.941 -174.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -54.45 -35.38 62.95 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.57 -46.28 83.46 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 120.663 0.268 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -63.69 -36.37 83.63 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.949 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.9 tt -67.14 -47.11 72.05 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.65 -34.28 72.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.865 0.365 . . . . 0.0 110.555 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.4 m -70.41 -49.66 46.66 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.6 -30.45 71.56 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.0 m -54.08 -40.69 67.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.719 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -62.0 -23.14 66.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.122 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -54.59 -41.28 69.71 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.63 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -94.89 -26.3 16.22 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.114 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.5 m -91.48 -6.22 52.97 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.32 -17.14 1.97 Allowed Glycine 0 CA--C 1.551 2.313 0 C-N-CA 121.32 -0.467 . . . . 0.0 113.283 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.19 95.58 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.968 0.413 . . . . 0.0 110.855 -175.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.21 92.87 37.35 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -82.73 -21.31 5.05 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.517 2.145 . . . . 0.0 113.514 -169.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 89.5 m-85 -83.39 79.04 9.54 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -88.69 144.48 26.25 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.929 0.395 . . . . 0.0 111.185 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.407 ' HA ' HD11 ' A' ' 112' ' ' LEU . 32.6 t -70.41 152.81 43.66 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.163 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -121.39 11.9 10.79 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.083 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -65.78 159.22 70.71 Favored Pre-proline 0 CA--C 1.556 1.182 0 CA-C-O 120.634 0.254 . . . . 0.0 110.685 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.98 -33.88 54.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 C-N-CA 123.112 2.541 . . . . 0.0 113.533 -171.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.4 p -149.73 87.18 1.48 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.694 0.283 . . . . 0.0 110.538 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.1 t -160.97 -77.51 0.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 57.05 37.67 28.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 169.8 7.29 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -128.78 140.74 51.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.562 0.22 . . . . 0.0 111.107 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.32 154.95 46.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.657 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.05 -4.37 52.58 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -133.1 139.27 47.03 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.13 0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.5 p -57.19 -46.23 83.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.63 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.43 -33.69 76.28 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.412 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.0 tp -63.11 -45.09 93.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.681 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.93 -41.43 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.526 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -65.83 -46.87 76.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.48 -49.66 69.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.788 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -57.08 -39.1 74.31 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.938 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -16.96 63.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.8 mtt -110.52 6.62 22.13 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.959 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.344 0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 111.0 -173.291 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 58.6 m-85 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -136.29 153.77 51.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.73 0.3 . . . . 0.0 110.542 169.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 15.4 t -67.66 161.58 25.52 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.8 172.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -106.8 -35.91 6.83 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.472 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -53.63 134.86 54.6 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 122.286 0.234 . . . . 0.0 111.399 -172.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.87 65.08 4.04 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.158 2.572 . . . . 0.0 112.48 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.53 -10.57 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.24 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.0 t -125.46 -79.78 0.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.641 0.376 . . . . 0.0 110.048 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.4 21.23 5.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.01 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -179.41 4.14 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.53 157.54 16.17 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.336 0.589 . . . . 0.0 111.487 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 26.0 m-85 -145.02 170.42 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.35 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' LYS . 9.5 t80 -108.72 -126.84 0.26 Allowed 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PHE . 92.5 mttt -11.37 106.37 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.385 1.074 . . . . 0.0 112.625 174.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.3 pt? -47.36 -43.86 23.48 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -177.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -67.99 -36.04 79.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.696 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.26 92.49 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.135 171.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.23 -38.73 90.34 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 122.349 -0.219 . . . . 0.0 110.472 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.9 tpt -64.61 -46.06 84.22 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.705 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -57.83 -44.25 86.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.036 0.446 . . . . 0.0 109.813 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -58.93 -35.16 72.63 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.649 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.8 tpt85 -58.88 -38.5 78.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.876 -0.147 . . . . 0.0 110.751 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.57 -35.03 71.75 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.452 0.168 . . . . 0.0 110.975 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -75.56 -21.42 57.89 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.273 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.673 171.331 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.856 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.7 m-85 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.538 0.209 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.95 151.79 52.01 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.651 172.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 170.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 . . . . . 0 CA--C 1.514 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.11 151.48 30.77 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.189 0.519 . . . . 0.0 111.15 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.31 139.43 35.44 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.061 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 p -86.4 4.09 40.91 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -173.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -143.97 140.85 29.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -44.55 78.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.685 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -58.18 -42.56 86.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -63.54 -48.77 76.13 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.857 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.0 tp -58.63 -49.4 77.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 120.624 0.25 . . . . 0.0 110.695 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.99 -41.69 97.43 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.158 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -62.04 -47.43 84.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.777 0.322 . . . . 0.0 110.199 172.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -60.72 -36.78 79.71 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.041 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -53.11 -38.32 62.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.081 177.804 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -55.32 -32.96 62.9 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.035 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.86 -33.51 64.61 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.562 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -91.95 -40.69 10.99 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.561 0.219 . . . . 0.0 111.043 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.0 p -79.42 -10.55 59.83 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.395 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.81 4.74 48.76 Favored Glycine 0 CA--C 1.544 1.905 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.195 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.82 120.15 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.778 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -123.34 71.68 46.63 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.89 -21.24 12.61 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.695 2.263 . . . . 0.0 112.928 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.8 m-85 -81.44 76.38 8.37 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 47.8 tt0 -90.87 135.99 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.777 0.322 . . . . 0.0 111.175 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.19 124.4 22.53 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 172.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.67 -9.85 55.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.171 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -70.62 0.67 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.349 0.259 . . . . 0.0 110.848 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.9 p -93.3 -5.78 48.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.477 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 68.51 21.2 8.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.902 0.481 . . . . 0.0 111.244 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -72.4 117.06 13.59 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 120.753 0.311 . . . . 0.0 110.584 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 96.9 mttt -87.81 137.9 31.93 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.83 158.87 39.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.7 m -102.49 -3.18 27.28 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.311 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -133.6 138.12 45.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.998 0.428 . . . . 0.0 110.862 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 p -68.28 -35.83 78.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.11 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.62 -41.72 98.25 Favored 'General case' 0 CA--C 1.568 1.656 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -63.48 -47.5 81.52 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -60.53 -47.64 85.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.967 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.81 -36.93 85.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.7 m -65.16 -50.03 67.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.533 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.51 -38.49 91.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.718 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.4 m -54.21 -41.62 68.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -64.37 -22.93 67.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.096 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 m -54.4 -41.15 68.93 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.31 0.244 . . . . 0.0 110.971 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -76.25 -18.61 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.614 0.245 . . . . 0.0 111.06 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 p -96.09 -6.23 39.0 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.26 7.63 33.05 Favored Glycine 0 CA--C 1.557 2.668 0 C-N-CA 121.593 -0.337 . . . . 0.0 112.823 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.43 103.61 4.85 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -119.98 91.59 45.75 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.221 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.06 -20.84 4.13 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.554 2.169 . . . . 0.0 113.058 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.6 m-85 -81.48 75.46 8.44 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -176.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.6 t -78.92 145.92 33.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.07 154.76 41.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 3.7 12.0 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.989 -176.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -65.91 147.38 98.81 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 120.747 0.308 . . . . 0.0 110.735 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.54 28.64 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.996 2.464 . . . . 0.0 112.862 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -163.35 20.55 0.08 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.3 t -146.52 168.33 21.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.229 0.538 . . . . 0.0 111.168 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.2 tp-100 -166.09 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.209 170.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -72.42 145.33 47.73 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.037 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -118.61 140.35 50.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -171.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.72 162.71 23.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.698 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.04 -6.44 38.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -133.58 143.66 48.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.254 0.549 . . . . 0.0 111.034 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 p -60.52 -43.16 97.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.921 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -67.43 -33.78 75.88 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.425 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.73 -42.43 97.3 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.99 -40.37 91.12 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.949 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.13 -47.53 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.216 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.21 -46.73 88.75 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -57.29 -45.15 84.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.096 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -57.33 -33.33 67.61 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.91 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.66 63.01 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.193 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 43.5 mtt -86.94 -1.05 57.55 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.296 0.238 . . . . 0.0 111.054 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 C--N 1.345 0.391 0 CA-C-O 120.676 0.275 . . . . 0.0 110.434 177.362 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.398 0.142 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mtp -136.18 157.34 47.06 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 49.7 t -72.03 169.52 15.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.22 169.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -142.13 8.32 1.84 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.791 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 31' ' ' HIS . 45.9 t80 -74.35 138.99 74.89 Favored Pre-proline 0 CA--C 1.551 0.998 0 O-C-N 122.185 -0.322 . . . . 0.0 110.393 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.88 84.42 0.52 Allowed 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.715 2.277 . . . . 0.0 112.15 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 2.24 0.89 Allowed Glycine 0 CA--C 1.545 1.932 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.553 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 t -131.6 -74.79 0.52 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.78 0.29 . . . . 0.0 110.859 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 39.95 58.17 2.19 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 122.868 0.467 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -97.65 -177.55 3.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.435 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 142.45 50.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.069 0.462 . . . . 0.0 111.739 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.598 ' CD1' HD23 ' A' ' 24' ' ' LEU . 70.2 m-85 -129.76 169.69 14.8 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.45 -176.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -118.05 -14.67 9.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.611 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 44.2 mttp -130.14 129.96 44.16 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.411 0.284 . . . . 0.0 110.75 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -57.84 -47.6 82.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.391 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -67.9 -46.51 71.4 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.913 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -60.4 -30.24 69.48 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.547 -179.377 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.1 -40.54 64.89 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 122.195 -0.316 . . . . 0.0 111.015 170.142 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -58.05 -38.47 76.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.83 -44.84 92.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.706 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -58.01 -39.05 77.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.238 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -59.18 -27.84 66.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -55.39 -38.46 68.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -56.34 -33.54 65.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.09 177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 41.8 m-70 -89.62 -33.01 16.83 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.2 p . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 120.85 0.357 . . . . 0.0 110.05 173.598 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.675 ' HB3' HD22 ' A' ' 54' ' ' LEU . 22.0 m-85 . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.48 140.13 30.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.55 0.966 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 169.806 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -108.59 131.47 54.83 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.33 164.62 15.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.02 -37.96 11.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.347 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.5 mtm-85 -111.68 153.1 26.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.151 0.5 . . . . 0.0 111.195 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.85 82.64 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.614 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.46 -35.15 80.05 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.382 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.46 HE21 ' NH2' ' A' ' 50' ' ' ARG . 88.5 mt-30 -64.27 -48.95 73.75 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 176.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 37' ' ' TYR . 58.8 tp -63.12 -43.43 98.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.05 -45.86 91.67 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.557 0.217 . . . . 0.0 110.883 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.69 -44.02 90.16 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.685 0.278 . . . . 0.0 110.286 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -60.73 -42.24 96.93 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -53.46 -30.62 41.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.301 0.24 . . . . 0.0 111.456 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -54.96 -33.05 62.02 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 120.495 0.188 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -57.91 -44.63 86.93 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.362 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -80.62 -25.97 38.05 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.704 0.288 . . . . 0.0 111.321 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -97.29 -1.41 44.74 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.294 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.17 11.86 28.17 Favored Glycine 0 CA--C 1.547 2.063 0 C-N-CA 121.704 -0.284 . . . . 0.0 113.307 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.1 131.77 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-O 121.128 0.49 . . . . 0.0 111.188 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.24 78.05 65.14 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.267 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -85.46 -20.51 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.658 2.238 . . . . 0.0 112.961 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 97.6 m-85 -78.03 84.88 4.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.686 0.279 . . . . 0.0 110.748 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -90.42 141.55 28.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 111.186 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.18 148.96 48.84 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.675 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.18 -8.04 58.78 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.68 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.22 -79.03 0.58 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.806 -173.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.4 p -81.13 -10.36 59.67 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.514 0.197 . . . . 0.0 111.168 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 67.84 29.21 6.78 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.968 0.507 . . . . 0.0 111.504 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.13 129.97 40.29 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 120.661 0.267 . . . . 0.0 110.461 170.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -89.09 145.13 25.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -141.85 167.51 21.97 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.525 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -104.24 -5.66 21.67 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -142.89 119.64 11.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.756 0.312 . . . . 0.0 111.07 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 10.1 p -61.58 -20.64 63.52 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.7 -37.74 73.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -73.84 -31.17 63.07 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.643 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.37 -47.79 69.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.523 0.202 . . . . 0.0 110.839 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.74 -37.36 86.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.827 0.346 . . . . 0.0 110.428 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.3 m -63.35 -49.49 73.7 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.539 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -64.11 -31.42 72.61 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -54.07 -38.25 65.1 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 122.821 0.448 . . . . 0.0 110.644 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -61.49 -22.57 65.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.947 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.2 m -54.48 -42.93 71.29 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.134 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.84 25.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.841 0.353 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -91.76 -3.09 56.6 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.201 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 52.51 20.1 7.07 Favored Glycine 0 CA--C 1.549 2.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 112.408 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.95 88.77 4.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.859 0.361 . . . . 0.0 111.017 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -112.56 80.81 3.81 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.29 -19.94 5.23 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.748 2.298 . . . . 0.0 112.949 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.3 m-85 -80.26 77.28 7.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.995 0.426 . . . . 0.0 110.743 -176.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 47.6 t -78.77 146.14 33.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.746 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.2 155.33 40.79 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.056 170.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.46 8.05 8.36 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.673 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -63.63 151.53 88.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.668 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 4.9 2.08 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.824 2.349 . . . . 0.0 113.303 -173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.3 p -146.81 36.18 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.833 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 25.1 t -145.76 165.51 28.6 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.212 0.53 . . . . 0.0 111.313 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -160.29 21.22 0.15 Allowed 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.31 173.176 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 42.1 mtmt -77.58 146.9 35.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 32.7 mttm -128.46 143.55 51.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.056 0.455 . . . . 0.0 111.272 -170.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.44 160.11 31.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.649 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.58 2.19 52.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.166 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -134.3 138.67 45.14 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.166 0.508 . . . . 0.0 110.823 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 3.0 p -59.18 -44.01 92.18 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.927 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.52 -33.78 75.77 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -60.75 -41.35 95.25 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.15 -40.59 86.72 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.981 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -44.99 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 120.681 0.277 . . . . 0.0 110.268 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.79 -46.84 83.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.363 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.97 -46.14 75.05 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.118 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -57.38 -33.64 68.03 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.865 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -18.52 65.21 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.207 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 49.8 mtt -77.51 -19.16 56.27 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.492 0.187 . . . . 0.0 110.919 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.345 0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 177.231 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 C--O 1.208 -1.128 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.45 148.59 47.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.5 t -71.42 173.57 7.71 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.971 169.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -140.68 4.26 1.92 Allowed 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -69.81 135.17 87.83 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -56.09 -19.16 25.64 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.864 2.376 . . . . 0.0 113.721 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.24 58.03 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 121.38 -0.438 . . . . 0.0 112.675 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -137.49 -92.28 0.23 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.567 0.183 . . . . 0.0 110.973 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.73 39.47 20.9 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.807 0.337 . . . . 0.0 111.14 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.84 166.13 12.34 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.909 0.385 . . . . 0.0 111.238 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 130.47 46.89 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.195 0.521 . . . . 0.0 111.464 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.762 ' CD1' HD23 ' A' ' 24' ' ' LEU . 75.1 m-85 -114.6 166.26 11.91 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.376 1.07 . . . . 0.0 110.598 178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -120.53 -15.18 8.54 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.763 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 3.9 mmpt? -120.89 132.24 54.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.688 0.28 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.95 -50.15 74.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.807 0.337 . . . . 0.0 110.547 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 p -68.09 -36.09 79.23 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.58 -39.02 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.524 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.05 -35.34 78.07 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.19 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -60.93 -42.59 98.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.21 -43.33 95.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -58.03 -43.74 86.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 110.377 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -58.99 -29.93 67.59 Favored 'General case' 0 CA--C 1.524 -0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.84 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.32 -38.43 68.7 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.577 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.48 -35.7 68.27 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -89.72 -13.74 36.21 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.49 1.575 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.241 -170.508 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.483 ' HB3' HD22 ' A' ' 54' ' ' LEU . 13.1 m-85 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.549 0.214 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.82 147.42 52.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 CA--C 1.551 0.997 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' NH2' HH21 ' A' ' 60' ' ' ARG . 70.9 mtt85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.673 0.273 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 154.14 23.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.236 0.541 . . . . 0.0 111.067 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.8 m-85 -140.21 164.79 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.658 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -105.95 -8.06 17.82 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' HE21 ' A' ' 53' ' ' GLN . 92.9 mtm-85 -141.34 156.3 45.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.105 0.479 . . . . 0.0 111.16 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -44.63 91.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.489 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -34.36 77.76 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.297 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.496 HE21 ' NH2' ' A' ' 50' ' ' ARG . 78.7 mt-30 -62.86 -50.35 71.25 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 37' ' ' TYR . 66.4 tp -62.07 -45.92 91.39 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.831 176.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.26 -40.19 93.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.25 0.22 . . . . 0.0 111.27 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -61.79 -44.39 96.96 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 3.1 t60 -60.74 -38.13 84.13 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -53.3 -31.67 45.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.24 0.216 . . . . 0.0 111.308 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 14.4 mmp_? -55.03 -32.93 62.24 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.406 0.146 . . . . 0.0 110.845 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.486 HH21 ' NH2' ' A' ' 46' ' ' ARG . 51.1 ttt85 -55.73 -41.61 74.14 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.428 0.291 . . . . 0.0 111.42 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.97 -45.83 13.63 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.695 0.284 . . . . 0.0 110.782 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -76.2 -9.47 58.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.631 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.62 1.42 23.15 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.724 -0.274 . . . . 0.0 112.895 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 66.1 t -71.21 108.78 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.984 0.421 . . . . 0.0 110.901 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -117.67 85.48 21.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.035 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD3' HG12 ' A' ' 64' ' ' VAL . 81.2 Cg_endo -85.78 -20.28 3.09 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.671 2.247 . . . . 0.0 113.068 -170.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -79.09 74.66 5.63 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.553 0.216 . . . . 0.0 110.633 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 45.1 tt0 -91.06 130.61 36.94 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.821 0.343 . . . . 0.0 111.345 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.74 124.26 21.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.317 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.84 -11.75 60.81 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.265 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -72.92 0.43 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.29 -8.51 35.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.597 -173.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 72.14 21.33 3.98 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.868 0.467 . . . . 0.0 111.127 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 106.92 1.27 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.595 171.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 1.3 ptpm? -87.88 126.27 34.95 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.11 -177.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.09 162.36 18.32 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.72 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 p -103.41 1.7 32.89 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.177 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -140.18 143.5 36.13 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 p -68.27 -33.84 75.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.043 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -66.72 -38.28 86.38 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 120.553 0.216 . . . . 0.0 111.192 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -71.31 -37.79 71.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.554 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.5 -46.47 82.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.531 0.205 . . . . 0.0 110.849 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.51 -34.33 77.98 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.683 0.278 . . . . 0.0 110.602 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.4 m -66.38 -49.58 66.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.491 175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.72 -34.12 76.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.011 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -54.27 -41.19 68.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.612 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -62.22 -24.22 67.11 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.272 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 p -68.9 -34.38 75.32 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.365 0.126 . . . . 0.0 110.932 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -83.1 -20.24 35.23 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.775 0.321 . . . . 0.0 110.671 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -91.83 -6.15 52.16 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.19 53.26 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.349 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.93 108.04 15.97 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -124.03 80.98 57.25 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.38 -22.96 3.67 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.723 2.282 . . . . 0.0 112.893 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.2 m-85 -76.19 77.23 3.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.988 0.423 . . . . 0.0 110.677 -177.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -82.91 142.46 31.42 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.7 t -70.45 160.42 32.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.113 0.483 . . . . 0.0 110.947 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -120.73 6.55 10.47 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.919 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -68.59 162.65 61.03 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.78 106.33 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 123.079 2.519 . . . . 0.0 113.171 -174.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.5 t 61.75 20.7 11.61 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 38.4 t -73.69 156.08 38.3 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.004 0.431 . . . . 0.0 110.745 176.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -146.92 22.61 1.23 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.839 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -77.87 132.74 38.11 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -128.42 138.0 52.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.82 162.42 25.18 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.823 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.11 1.99 39.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -135.91 135.08 39.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.066 0.46 . . . . 0.0 110.484 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 4.2 p -57.51 -43.3 84.14 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -67.32 -33.49 75.38 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.57 -41.74 95.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.5 tp -66.11 -41.4 90.64 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.857 175.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.2 -42.43 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.65 -46.94 83.36 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.344 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -54.37 -48.6 71.32 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.789 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.69 -39.73 74.34 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -71.74 -15.62 62.19 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.188 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.3 mtm -106.73 3.43 26.61 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 122.232 0.213 . . . . 0.0 110.991 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.328 0 CA-C-O 120.731 0.301 . . . . 0.0 111.027 -172.268 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 120.764 0.316 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -161.31 116.35 2.08 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 66.3 -70.0 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 122.994 0.517 . . . . 0.0 110.4 -169.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.76 120.86 23.26 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 169.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -139.99 153.31 69.35 Favored Pre-proline 0 N--CA 1.475 0.807 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.497 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.86 167.65 25.8 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.752 2.301 . . . . 0.0 112.255 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -79.7 158.65 26.91 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.836 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.6 158.69 43.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.197 0.522 . . . . 0.0 112.12 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 40.7 t -119.3 165.29 14.46 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.051 168.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.28 -3.87 7.4 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 56.3 t80 -75.07 143.86 78.13 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 120.601 0.239 . . . . 0.0 110.763 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.37 149.31 23.38 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.764 2.31 . . . . 0.0 112.875 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.54 9.43 18.11 Favored Glycine 0 CA--C 1.559 2.808 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.747 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 49.0 t -88.41 171.03 10.42 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 117.466 0.633 . . . . 0.0 110.56 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 40.8 t30 -68.24 -34.85 76.98 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.378 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.5 mttp 66.41 14.53 9.75 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 122.999 0.52 . . . . 0.0 111.469 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -148.71 127.13 12.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.265 171.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.746 ' CD1' HD23 ' A' ' 24' ' ' LEU . 71.1 m-85 -126.89 164.55 21.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.695 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.09 -14.06 9.94 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.787 -171.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 18.8 mmtm -127.62 129.14 46.73 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.832 0.349 . . . . 0.0 110.45 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.05 -57.16 11.34 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -67.87 -35.66 78.92 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.77 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.23 -40.95 98.9 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.087 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -69.55 -37.87 77.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 173.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.98 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.999 -0.438 . . . . 0.0 110.353 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.0 tpt -60.08 -41.23 92.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.1 t60 -57.86 -43.24 85.82 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.272 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -59.31 -38.06 79.3 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.037 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' NH2' ' H41' ' C' ' 144' ' ' ' DC' . 0.0 OUTLIER -57.31 -38.12 73.51 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.56 177.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.17 -38.43 70.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.215 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 21.7 m-70 -80.92 -23.39 38.94 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 -172.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p -54.73 -23.38 17.45 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 50' ' ' ARG . . . -96.49 5.71 65.02 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 121.66 -0.305 . . . . 0.0 112.802 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -127.12 2.67 6.47 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 122.323 0.249 . . . . 0.0 111.533 -173.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.84 119.63 70.68 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-O 120.555 0.217 . . . . 0.0 110.59 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -70.38 123.71 10.15 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.476 2.118 . . . . 0.0 112.897 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 54' ' ' LEU . 34.6 m-85 -123.22 168.96 11.77 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.61 172.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -132.65 154.92 49.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.605 171.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.2 t -53.96 137.37 39.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.88 12.38 37.07 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.061 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -76.49 165.65 24.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -68.56 -32.28 72.09 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -176.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -134.43 53.73 1.98 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 120.65 0.262 . . . . 0.0 111.09 -173.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.1 t -143.89 165.62 27.23 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 120.942 0.401 . . . . 0.0 110.748 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.08 23.56 0.65 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -78.98 163.1 25.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -124.24 155.74 38.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.126 0.489 . . . . 0.0 110.959 -177.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.7 m-85 -138.62 164.83 28.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.074 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 p -105.26 4.63 31.27 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.502 ' HG2' ' H ' ' A' ' 52' ' ' ASP . 22.5 ttp180 -164.18 158.08 18.69 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.798 0.332 . . . . 0.0 111.059 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -39.46 83.0 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 175.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' H ' ' HG2' ' A' ' 50' ' ' ARG . 28.1 t0 -65.53 -40.57 93.08 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.88 73.05 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.727 0.299 . . . . 0.0 110.603 175.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.7 tp -60.99 -46.45 90.68 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -58.84 -46.25 88.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.735 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.44 -46.05 84.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.619 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.69 -40.94 94.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.767 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -54.0 -38.43 65.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.092 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -55.72 -33.33 64.13 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 122.376 -0.203 . . . . 0.0 111.125 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.501 ' HG3' HH11 ' A' ' 60' ' ' ARG . 1.0 OUTLIER -68.15 -31.87 71.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.015 0.126 . . . . 0.0 111.193 179.052 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -85.3 -33.62 22.06 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.1 p -94.38 -12.85 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.579 -171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.43 13.08 73.81 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 121.575 -0.345 . . . . 0.0 112.471 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.423 HG12 ' HD3' ' A' ' 66' ' ' PRO . 35.2 t -67.41 105.95 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.026 0.441 . . . . 0.0 110.957 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.67 82.49 41.32 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.177 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 64' ' ' VAL . 82.0 Cg_endo -85.27 -18.88 3.92 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.636 2.224 . . . . 0.0 112.983 -172.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.496 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.9 m-85 -80.89 84.6 6.35 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.628 0.251 . . . . 0.0 110.762 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -90.37 130.22 36.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.037 0.446 . . . . 0.0 110.991 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' SG ' ' HE3' ' A' ' 70' ' ' LYS . 19.4 t -64.62 124.47 21.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.867 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -57.83 -24.92 59.68 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.719 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -62.79 1.19 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.609 0.243 . . . . 0.0 110.816 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.26 -19.0 61.16 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.678 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 62.61 8.92 3.19 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.572 0.349 . . . . 0.0 111.002 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -69.25 122.43 18.82 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.494 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.86 124.5 33.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.916 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.07 162.48 16.42 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.411 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 p -101.58 -6.49 23.79 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.637 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -136.89 143.17 42.84 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 111.196 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.6 p -65.09 -39.59 93.4 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.926 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.57 -34.86 79.25 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.226 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.482 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.5 m-70 -68.1 -45.82 72.64 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.538 172.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.25 -45.23 89.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.19 -34.27 77.97 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -67.62 -49.66 61.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.97 -33.99 75.33 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 m -54.28 -40.99 68.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.705 0.402 . . . . 0.0 110.974 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -61.98 -22.72 65.9 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 m -54.5 -40.83 68.93 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.858 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -86.67 -22.91 25.83 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.616 0.246 . . . . 0.0 110.95 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.81 -6.27 51.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.529 -169.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.61 15.08 38.71 Favored Glycine 0 CA--C 1.546 2.022 0 C-N-CA 121.471 -0.395 . . . . 0.0 112.528 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.38 96.36 7.32 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -121.58 83.69 41.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.17 -19.51 4.63 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.694 2.263 . . . . 0.0 113.058 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.0 m-85 -81.16 75.99 8.12 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 84.7 p -78.86 145.97 33.89 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.2 t -70.28 161.22 30.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.124 0.488 . . . . 0.0 110.935 176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -125.54 7.62 7.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.908 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -65.26 153.02 90.56 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.502 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.68 4.71 2.0 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 122.781 2.321 . . . . 0.0 113.33 -171.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -148.26 30.69 0.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.081 0.152 . . . . 0.0 111.152 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.81 150.27 34.97 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.56 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -145.25 23.39 1.49 Allowed 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.946 169.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.5 mtmm -68.38 144.15 54.86 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 36.3 mttm -123.83 144.56 49.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.139 0.495 . . . . 0.0 111.548 -169.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -123.83 164.58 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.39 2.03 44.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.009 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -135.67 136.34 40.84 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.104 0.478 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.403 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 13.9 p -57.21 -45.31 83.94 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.716 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.15 -33.58 75.72 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.465 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.69 -40.59 92.75 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.0 tp -66.29 -43.19 87.06 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.77 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.03 -41.59 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.16 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.53 -46.88 84.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.431 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 58.9 t60 -54.51 -49.84 69.24 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 110.772 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -56.65 -37.85 71.36 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.966 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -18.79 64.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.179 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.7 mtm -106.0 0.66 25.86 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.079 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.344 0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.078 -171.888 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 0 C3'-C2'-C1' 98.576 -2.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.028 0 O4'-C4'-C3' 109.379 3.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C4'-C3' 108.653 3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.423 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 O4'--C4' 1.401 -4.133 0 C3'-C2'-C1' 98.158 -3.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.482 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O5'--C5' 1.409 -1.92 1 O4'-C4'-C3' 110.113 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.937 0 P-O3'-C3' 123.379 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O3'-P-O5' 100.614 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.13 0 C5'-C4'-C3' 108.97 -3.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.688 0 O4'-C4'-C3' 109.185 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.732 1 C5'-C4'-C3' 107.351 -4.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.831 2 C4'-C3'-C2' 97.777 -5.423 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.575 3.874 1 C2'-C3'-O3' 121.478 4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.069 1 P-O3'-C3' 125.011 4.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 1 O4'-C4'-C3' 109.639 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 P-O3'-C3' 124.041 3.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.072 0 P-O3'-C3' 123.948 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 109.174 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.977 1 O5'-C5'-C4' 116.516 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -1.999 0 P-O3'-C3' 123.958 3.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.564 ' H41' ' NH2' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.579 0 O4'-C4'-C3' 109.412 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.18 1 O4'-C4'-C3' 109.688 4.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.115 1 P-O3'-C3' 125.399 4.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 P-O3'-C3' 123.458 3.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . 0.437 " H1'" " H5'" ' C' ' 149' ' ' ' DG' . . . . . . . . 0 P--O3' 1.644 3.093 0 O4'-C4'-C3' 108.693 3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . 0.437 " H5'" " H1'" ' C' ' 148' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.547 4.444 2 C4'-C3'-C2' 98.927 -4.273 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.409 ' C5 ' ' C4 ' ' C' ' 149' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.408 -3.461 3 O5'-C5'-C4' 117.444 5.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 1 C4'-C3'-C2' 99.183 -4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.264 0 O4'-C4'-C3' 108.782 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.642 4.852 0 O4'-C4'-C3' 108.03 2.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -1.765 1 O4'-C4'-C3' 110.645 5.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 C5'-C4'-C3' 107.877 -4.549 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.509 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.688 1 O4'-C4'-C3' 110.546 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.509 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.116 0 C3'-C2'-C1' 98.792 -2.791 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 120.558 0.218 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -154.72 151.66 28.98 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.693 0.282 . . . . 0.0 110.687 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.4 -26.87 62.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.925 176.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -143.99 165.86 26.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.534 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -122.35 81.57 45.86 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.2 166.14 29.58 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.592 2.194 . . . . 0.0 112.412 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 80.9 m-85 -88.69 162.23 16.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -136.25 152.78 51.09 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.977 0.417 . . . . 0.0 110.31 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.14 159.76 25.53 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.927 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.63 61.66 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -150.62 134.69 9.27 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.248 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.76 -32.58 93.12 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.454 2.103 . . . . 0.0 112.632 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 6.64 49.82 Favored Glycine 0 CA--C 1.55 2.228 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.783 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 t -151.63 -89.2 0.06 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.864 0.332 . . . . 0.0 110.792 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.98 28.3 16.02 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 120.922 0.392 . . . . 0.0 111.01 -176.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -81.37 170.65 15.74 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 135.83 39.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.328 0.585 . . . . 0.0 111.698 -169.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.766 ' CD1' HD23 ' A' ' 24' ' ' LEU . 61.8 m-85 -116.45 163.7 15.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.512 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.46 -8.53 13.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.629 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 21.2 mtpp -132.18 149.51 52.37 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.1 tt -76.17 -48.47 20.38 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.609 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 p -68.16 -35.96 78.88 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.6 -43.15 81.18 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.339 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -64.42 -32.28 73.84 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.521 170.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -64.82 -44.45 89.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.088 -0.382 . . . . 0.0 110.688 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -57.97 -46.27 85.41 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -58.0 -44.79 87.42 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 m -59.6 -35.44 74.33 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.168 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' O ' HG22 ' A' ' 32' ' ' THR . 39.2 mtt85 -61.94 -38.04 86.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -31.29 66.59 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 121.354 -0.138 . . . . 0.0 111.097 175.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -89.66 -26.81 20.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -52.52 -29.07 23.29 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.999 175.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.573 ' HA3' ' H73' ' B' ' 134' ' ' ' DT' . . . -87.3 13.55 59.75 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 121.477 -0.392 . . . . 0.0 112.789 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -131.67 9.01 4.59 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.353 0.261 . . . . 0.0 111.078 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -65.35 120.58 68.94 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 122.273 0.229 . . . . 0.0 110.508 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.12 142.27 24.4 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.486 2.124 . . . . 0.0 113.251 -169.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 54' ' ' LEU . 74.2 m-85 -140.43 175.89 9.22 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.462 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.7 149.81 52.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 t -52.24 143.24 15.03 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.886 0.374 . . . . 0.0 110.824 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -104.87 19.42 20.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.947 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -76.79 169.69 17.84 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-O 120.978 0.418 . . . . 0.0 110.891 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -65.45 -40.43 93.21 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.405 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -144.79 91.96 2.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.76 0.314 . . . . 0.0 110.475 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.3 t -145.02 -71.9 0.26 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 64.81 24.46 12.81 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 122.777 0.431 . . . . 0.0 111.636 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -82.96 137.14 34.29 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 171.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.66 153.09 21.03 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 111.024 -175.105 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 91.8 m-85 -135.6 164.8 27.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.02 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 p -110.52 20.44 17.7 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.453 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -168.56 157.15 8.52 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.66 0.267 . . . . 0.0 111.016 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.5 p -62.35 -35.19 78.35 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.411 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.1 -42.75 88.85 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.61 -47.11 79.8 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.634 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -60.16 -43.13 96.02 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 176.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.81 -47.07 88.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.344 0.258 . . . . 0.0 110.944 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -57.88 -47.4 82.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.692 0.282 . . . . 0.0 110.282 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.0 t60 -60.88 -37.28 81.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -177.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -53.39 -38.18 63.15 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -33.37 63.36 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.316 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -58.12 -35.35 71.35 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.238 0.215 . . . . 0.0 111.254 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.46 -37.15 12.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.618 0.247 . . . . 0.0 111.163 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.1 p -81.34 -19.28 43.15 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.337 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.74 63.85 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.489 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.493 HG12 ' HD3' ' A' ' 66' ' ' PRO . 39.1 t -68.31 113.05 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.881 -175.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -121.52 81.3 39.28 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.306 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' HD3' HG12 ' A' ' 64' ' ' VAL . 85.8 Cg_endo -81.67 -23.0 5.1 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.666 2.244 . . . . 0.0 112.747 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.1 m-85 -78.92 76.28 5.41 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.653 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 pt20 -91.09 137.63 32.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.066 0.46 . . . . 0.0 111.044 -177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.488 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 t -64.59 129.43 39.8 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.468 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.488 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -66.1 -2.02 3.74 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.775 176.409 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -67.35 0.99 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.43 0.292 . . . . 0.0 110.762 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 29.2 p -108.65 3.88 23.3 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -174.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.33 15.99 9.12 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.961 0.505 . . . . 0.0 111.843 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -53.65 111.96 0.83 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 169.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 43.5 mttt -87.88 136.61 32.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.126 0.488 . . . . 0.0 111.063 -172.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -130.74 160.92 32.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.417 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 m -105.63 -0.22 25.83 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -133.35 135.34 44.69 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 110.707 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 p -65.76 -39.53 91.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.57 -34.83 79.16 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 1.9 m-70 -67.3 -42.65 83.38 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.617 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -65.81 -46.73 77.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.56 0.219 . . . . 0.0 110.986 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.54 -34.38 77.68 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.63 0.253 . . . . 0.0 110.432 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.8 m -67.01 -49.62 64.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.67 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -63.07 -32.72 74.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.17 -40.99 68.01 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -62.11 -24.62 67.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.424 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -65.71 -28.91 69.41 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.912 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.76 -24.2 17.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.959 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -91.89 -6.14 52.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.542 -170.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.33 13.95 55.64 Favored Glycine 0 CA--C 1.545 1.907 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.38 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.34 91.34 5.04 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.851 0.358 . . . . 0.0 110.795 -174.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -117.41 78.95 11.37 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.38 -24.24 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.659 2.239 . . . . 0.0 112.871 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.4 m-85 -77.56 77.37 4.08 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -176.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.0 m -81.61 145.16 30.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.463 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.7 t -70.36 159.7 33.66 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.088 0.471 . . . . 0.0 110.968 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.2 14.73 7.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.9 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -65.22 160.88 54.2 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.65 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.78 -32.27 28.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 123.113 2.542 . . . . 0.0 113.55 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.4 p -147.08 82.13 1.55 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.702 0.286 . . . . 0.0 110.566 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 42.5 t -148.88 155.38 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -145.21 22.92 1.52 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.424 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mppt? -78.32 138.2 38.45 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -128.44 143.4 50.98 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -172.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.9 162.41 27.6 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.4 -0.07 38.89 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.046 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -135.32 137.75 42.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 110.489 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 16.1 p -57.22 -44.8 84.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.697 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -67.41 -33.56 75.43 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.707 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -60.6 -39.56 88.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.22 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.8 tp -67.65 -42.56 82.03 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.884 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 80.2 t -57.98 -41.64 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.06 -46.81 85.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -54.51 -49.5 70.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.537 0.208 . . . . 0.0 110.744 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -56.65 -39.58 73.95 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.836 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -16.62 63.8 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.178 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -109.56 2.83 20.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.993 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.067 -172.336 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.284 1 O4'-C4'-C3' 110.088 4.488 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.437 0 O4'-C4'-C3' 108.643 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.846 1 C1'-O4'-C4' 104.042 -4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C4'-C3' 109.817 4.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.204 0 C3'-C2'-C1' 97.159 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.457 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.545 2.653 0 C2'-C3'-O3' 117.468 2.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 C5'-C4'-C3' 110.192 -3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.514 0 O4'-C4'-C3' 108.042 2.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.709 0 O4'-C4'-C3' 109.58 3.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.806 0 O3'-P-O5' 97.847 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.573 ' H73' ' HA3' ' A' ' 33' ' ' GLY . . . . . . . . 1 C5'--C4' 1.546 4.345 1 C5'-C4'-C3' 108.295 -4.27 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.403 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.41 -1.848 0 O4'-C4'-C3' 108.667 3.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.556 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.011 2 O3'-P-O5' 95.877 -4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.506 0 O3'-P-O5' 97.477 -3.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 0 P-O3'-C3' 123.675 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 P-O3'-C3' 123.535 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 O4'-C4'-C3' 108.609 3.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 1 O3'-P-O5' 96.102 -4.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O3'-P-O5' 96.949 -3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.76 1 O4'-C4'-C3' 110.724 5.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . 0.404 ' H62' HG21 ' A' ' 32' ' ' THR . . . . . . . . 0 O4'--C4' 1.414 -2.938 0 O4'-C4'-C3' 108.605 3.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 1 P-O3'-C3' 124.895 4.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.671 1 P-O3'-C3' 125.084 4.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C4'-C3' 108.182 2.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.309 2 C5'-C4'-C3' 108.588 -4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 0 O4'-C4'-C3' 109.12 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 P-O3'-C3' 124.019 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.403 -2.143 0 P-O3'-C3' 122.528 2.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 O4'-C4'-C3' 109.121 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.735 1 O4'-C4'-C3' 110.95 5.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 O4'-C4'-C3' 109.487 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.51 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.276 0 O4'-C4'-C3' 108.902 3.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.01 0 C3'-C2'-C1' 99.335 -2.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 CA-C-O 120.635 0.255 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -65.74 -37.06 85.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.011 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 44.83 1.18 Allowed 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -76.44 50.31 0.65 Allowed 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.327 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -161.28 154.03 17.36 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.65 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.52 173.16 14.65 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.605 2.203 . . . . 0.0 111.939 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.86 147.48 39.01 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 152.35 50.45 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 169.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -65.08 145.73 55.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.303 170.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.93 15.88 5.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.26 116.14 46.03 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.5 95.43 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.28 1.987 . . . . 0.0 111.446 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.41 -24.0 1.37 Allowed Glycine 0 CA--C 1.552 2.383 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -169.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.53 178.77 6.73 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.547 1.139 . . . . 0.0 109.437 169.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -173.06 31.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.699 0.285 . . . . 0.0 111.222 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -72.57 149.85 43.65 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.61 127.08 45.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.271 0.558 . . . . 0.0 110.953 -175.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.657 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.4 m-85 -111.94 170.05 8.42 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.229 1.012 . . . . 0.0 110.465 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -117.52 -29.08 5.89 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.366 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 60.7 mmtt -106.74 134.03 50.51 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.706 0.289 . . . . 0.0 110.573 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.04 -51.44 67.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.601 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 p -67.96 -35.72 78.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.085 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -73.41 -29.44 62.59 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.213 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.657 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.35 -40.04 64.73 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 169.363 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.85 -39.5 85.42 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.857 -0.156 . . . . 0.0 110.586 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.1 mmt -59.98 -45.95 91.04 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.522 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -58.0 -40.14 80.01 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 p -58.92 -34.09 71.32 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.235 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -55.59 -38.45 69.44 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.93 -28.16 65.97 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.328 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -89.63 -20.73 23.35 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -60.92 -23.87 65.58 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.846 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.84 10.96 58.65 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.537 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.81 -30.49 68.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.887 0.344 . . . . 0.0 111.079 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -144.32 89.68 6.89 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.486 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.67 146.25 43.04 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.474 2.116 . . . . 0.0 111.971 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 59.4 m-85 -81.48 163.71 22.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -132.8 154.64 50.09 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.382 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t -63.52 162.45 12.75 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.56 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -125.07 6.4 7.91 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -64.54 150.84 45.99 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -64.48 -13.97 54.68 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.096 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.95 33.52 2.63 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.544 0.211 . . . . 0.0 111.069 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.3 t -134.85 159.13 42.37 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 0.0 111.08 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.46 29.67 0.38 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.461 174.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.38 149.41 35.2 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.256 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -117.79 152.35 35.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 63.7 m-85 -138.63 139.42 38.53 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.0 t -88.74 3.72 49.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -141.15 138.06 33.17 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 110.639 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 p -59.65 -44.63 93.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.239 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -33.91 77.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -64.69 -46.12 83.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.596 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 31.9 tp -61.56 -46.77 88.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.763 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -57.93 -42.88 85.78 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.589 0.233 . . . . 0.0 110.776 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -61.85 -47.09 86.6 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.544 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 69.7 t60 -60.58 -47.59 85.53 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -53.32 -38.07 62.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -55.18 -33.09 62.71 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.019 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.89 -38.19 90.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.507 0.194 . . . . 0.0 111.142 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -81.29 -12.79 58.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.372 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 p -118.5 -7.9 10.56 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.68 -170.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.1 48.56 Favored Glycine 0 CA--C 1.552 2.345 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.405 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.44 125.42 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 117.145 0.473 . . . . 0.0 110.886 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.29 88.29 32.48 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.132 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 88.7 Cg_endo -84.8 -13.84 6.64 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.58 2.187 . . . . 0.0 113.262 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.472 ' HB3' HD13 ' A' ' 82' ' ' LEU . 88.6 m-85 -90.42 133.85 34.74 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -124.52 138.96 54.29 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.146 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.54 148.61 50.37 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.446 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.57 -4.33 51.11 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 -71.13 0.76 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -175.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -88.38 -4.02 58.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.547 0.213 . . . . 0.0 111.117 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 61.22 26.1 16.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.323 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.48 140.81 35.73 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 120.818 0.342 . . . . 0.0 110.71 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -93.29 145.69 24.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.068 0.461 . . . . 0.0 111.316 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.97 163.46 31.46 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.1 p -96.38 -10.62 27.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.822 -174.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -139.65 135.72 33.56 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 p -60.07 -34.12 73.0 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.11 -41.04 95.29 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.835 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.445 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.7 m-70 -63.77 -44.7 92.64 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.387 0.137 . . . . 0.0 110.817 171.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.3 tt -63.07 -47.55 82.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.536 0.208 . . . . 0.0 110.779 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.82 -34.25 76.91 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -67.74 -49.52 62.1 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.69 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.69 -32.61 73.73 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.804 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -53.95 -40.88 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.447 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -61.98 -23.01 66.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -60.02 -30.39 69.13 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.02 -23.98 22.46 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.2 p -97.1 -3.71 40.71 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.99 18.66 27.36 Favored Glycine 0 CA--C 1.551 2.307 0 C-N-CA 121.682 -0.294 . . . . 0.0 112.555 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -75.08 81.54 2.26 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.969 0.414 . . . . 0.0 111.155 -172.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -109.17 83.55 2.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.62 -26.43 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.555 2.17 . . . . 0.0 113.014 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -74.73 82.23 2.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.962 0.411 . . . . 0.0 110.877 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 16.6 m -87.96 145.1 26.18 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.447 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.2 t -70.54 161.27 30.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -126.82 7.75 6.78 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.989 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -68.89 147.36 97.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.777 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.99 26.4 0.33 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.157 2.571 . . . . 0.0 112.903 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.62 27.45 0.1 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.597 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 14.8 t -137.95 177.68 7.69 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.147 0.499 . . . . 0.0 111.152 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -175.53 27.75 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.038 178.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.04 152.75 21.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -128.58 148.18 50.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.023 0.44 . . . . 0.0 111.557 -176.529 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.84 163.77 25.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.67 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.37 0.25 33.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -133.22 139.61 47.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.166 0.508 . . . . 0.0 110.741 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.4 t -59.83 -41.85 92.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.65 -33.75 75.58 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.511 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.7 -42.42 97.16 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 97' ' ' CYS . 60.6 tp -64.13 -42.83 96.68 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.887 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.22 -43.47 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 120.885 0.374 . . . . 0.0 110.494 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -69.42 -33.92 73.7 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -67.17 -42.28 84.53 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.484 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.59 -33.39 66.15 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -16.72 64.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.453 0.168 . . . . 0.0 111.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -80.92 -19.31 44.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.494 0.188 . . . . 0.0 110.897 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 C--N 1.346 0.419 0 CA-C-O 120.711 0.291 . . . . 0.0 110.41 177.134 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.686 0 C5'-C4'-C3' 111.393 -2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.166 0 O4'-C4'-C3' 108.31 2.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.099 0 C3'-C2'-C1' 97.639 -3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.067 0 O4'-C4'-C3' 108.106 2.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.616 0 C3'-C2'-C1' 99.402 -2.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.445 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.543 4.036 0 P-O3'-C3' 123.729 3.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.938 0 O4'-C4'-C3' 109.049 3.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 C3'-C2'-C1' 106.403 2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.113 1 P-O3'-C3' 125.222 4.602 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.833 0 P-O3'-C3' 123.693 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.364 1 O3'-P-O5' 96.228 -4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-C2' 101.093 -4.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.997 1 P-O3'-C3' 125.552 4.876 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.048 0 P-O3'-C3' 123.868 3.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 2 O4'-C4'-C3' 110.237 4.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.453 0 P-O3'-C3' 123.454 3.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 0 P-O3'-C3' 124.426 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . 0.4 " H1'" " H5'" ' C' ' 142' ' ' ' DC' . . . . . . . . 0 P--O5' 1.629 3.639 1 O4'-C4'-C3' 110.486 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . 0.4 " H5'" " H1'" ' C' ' 141' ' ' ' DG' . . . . . . . . 0 P--O5' 1.616 2.322 1 P-O3'-C3' 124.525 4.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 P-O3'-C3' 124.16 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.051 0 O3'-P-O5' 96.851 -3.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 2 P-O3'-C3' 125.856 5.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.612 0 O5'-C5'-C4' 115.792 3.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.382 -5.837 2 O4'-C4'-C3' 110.161 4.561 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 P-O3'-C3' 125.646 4.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 3.689 1 P-O3'-C3' 124.855 4.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.411 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.408 -3.489 0 C5'-C4'-C3' 109.179 -3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.411 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C4'-C3' 111.323 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.601 0 P-O3'-C3' 124.279 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O5'-C5'-C4' 114.714 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.095 1 O3'-P-O5' 95.435 -4.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 2 O4'-C4'-C3' 110.43 4.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.51 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.759 1 O4'-C4'-C3' 109.903 4.303 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.97 0 C3'-C2'-C1' 98.541 -2.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.829 0 CA-C-O 120.564 0.221 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -77.62 5.21 9.59 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.414 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.93 174.92 13.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 0.0 110.658 -177.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -78.44 48.53 0.78 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.393 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 165.34 54.49 Favored Pre-proline 0 CA--C 1.555 1.141 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.358 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.48 155.95 33.68 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.537 2.158 . . . . 0.0 112.542 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -90.63 157.76 17.3 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.08 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptm -136.43 154.67 50.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.796 0.332 . . . . 0.0 110.378 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 53.7 t -71.2 159.16 35.15 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.912 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.91 25.24 10.07 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.939 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 69.1 t80 -103.5 133.01 20.53 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.495 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 55.7 Cg_endo -71.45 1.57 5.41 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 C-N-CA 122.807 2.338 . . . . 0.0 113.546 -173.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.48 25.9 10.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 170.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -154.39 -87.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.592 0.357 . . . . 0.0 110.885 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.9 m120 46.84 42.12 11.55 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 -172.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -85.18 178.86 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.26 130.5 56.22 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.692 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.2 m-85 -113.7 162.91 15.69 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.878 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -115.84 -44.72 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 43.7 mmtm -85.67 120.16 26.8 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.23 -44.16 61.63 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-O 120.72 0.295 . . . . 0.0 110.474 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 p -68.21 -41.35 81.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.5 -29.16 66.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.861 0.362 . . . . 0.0 110.139 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.21 -41.98 63.16 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 169.605 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -58.46 -44.41 89.23 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.322 -0.236 . . . . 0.0 110.735 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.51 85.82 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.639 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.7 t60 -57.85 -38.31 75.44 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -59.08 -35.23 73.04 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' NH1' ' H41' ' C' ' 144' ' ' ' DC' . 2.0 mmp_? -55.99 -38.62 70.69 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.001 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.81 -35.06 75.52 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.485 0.183 . . . . 0.0 111.015 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 26.3 m-70 -83.33 -26.41 30.59 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.218 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -53.58 -26.73 22.83 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.135 172.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' HA2' HH11 ' A' ' 50' ' ' ARG . . . -93.01 8.27 76.18 Favored Glycine 0 CA--C 1.541 1.686 0 C-N-CA 121.653 -0.308 . . . . 0.0 112.461 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -132.15 19.28 4.47 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.813 0.445 . . . . 0.0 110.69 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -71.43 116.54 48.4 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -67.67 111.57 2.4 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.437 2.091 . . . . 0.0 112.673 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.6 m-85 -118.7 166.82 12.29 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.586 172.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.46 151.62 51.83 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -47.17 129.87 12.58 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 121.081 0.467 . . . . 0.0 111.316 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -72.33 -12.5 61.16 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -60.65 -24.62 65.71 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.895 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.69 -43.67 0.55 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 123.193 0.597 . . . . 0.0 111.728 172.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.62 -18.82 63.63 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.702 0.287 . . . . 0.0 110.439 170.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.74 164.91 17.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -136.48 20.92 3.14 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -86.73 132.91 33.73 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 120.894 0.378 . . . . 0.0 110.171 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -108.08 153.22 23.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.6 m-85 -132.72 164.8 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.14 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -107.88 7.78 28.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.499 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.466 HH11 ' HA2' ' A' ' 33' ' ' GLY . 20.2 ttp180 -162.71 155.16 18.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.8 p -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.22 -42.73 88.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.625 0.25 . . . . 0.0 111.05 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.77 -43.24 89.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.576 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.83 -48.26 77.49 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -63.69 -40.09 95.93 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.505 0.193 . . . . 0.0 110.927 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -57.26 -47.43 81.42 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 76.8 t60 -60.7 -37.96 83.42 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.146 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -53.34 -38.38 63.19 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.407 0.146 . . . . 0.0 111.073 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -55.52 -33.23 63.58 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 122.483 -0.136 . . . . 0.0 111.104 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -64.65 -38.77 92.13 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.106 0.162 . . . . 0.0 111.179 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -82.59 -31.32 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.558 0.218 . . . . 0.0 111.131 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -82.6 -38.6 23.39 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.23 -1.95 43.7 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 121.436 -0.412 . . . . 0.0 112.63 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.47 144.43 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 121.109 0.48 . . . . 0.0 111.272 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -133.99 83.45 46.03 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.877 175.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.57 -15.34 17.43 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.593 2.195 . . . . 0.0 113.746 -169.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.7 m-85 -92.24 101.06 13.55 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -178.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.71 135.22 47.52 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.773 0.32 . . . . 0.0 111.029 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.63 148.15 51.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.545 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -94.33 -2.77 51.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.76 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -69.82 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.7 p -83.58 -16.12 46.55 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.838 -0.165 . . . . 0.0 111.171 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 76.51 13.62 2.39 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.981 0.513 . . . . 0.0 111.41 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -78.97 141.86 37.15 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.63 146.96 24.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 111.42 -176.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -137.31 162.16 34.29 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.863 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -102.62 -3.01 27.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.839 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.68 HH21 ' CE1' ' A' ' 81' ' ' HIS . 16.3 mtm180 -138.75 129.0 25.63 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.03 0.443 . . . . 0.0 111.556 -178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 p -51.19 -43.92 61.45 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -62.24 -34.82 77.24 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.68 ' CE1' HH21 ' A' ' 78' ' ' ARG . 3.8 m-70 -76.8 -35.16 57.81 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.159 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.3 tt -68.16 -44.65 75.5 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.67 -34.27 76.77 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.641 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.4 m -69.59 -49.39 54.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.623 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -62.6 -31.13 71.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -54.08 -40.68 67.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.903 0.481 . . . . 0.0 110.544 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -61.86 -22.9 65.92 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.138 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 m -57.25 -42.07 80.82 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -91.06 -18.78 24.01 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -98.6 -3.38 36.38 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.597 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.2 15.34 36.89 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.604 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.88 88.58 5.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.51 83.99 14.27 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.527 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.41 -25.7 2.48 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.55 2.167 . . . . 0.0 113.058 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -74.97 78.62 2.17 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.051 0.453 . . . . 0.0 110.851 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -80.77 146.1 31.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.454 ' HA ' HD11 ' A' ' 112' ' ' LEU . 20.8 t -70.56 161.32 30.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.114 0.483 . . . . 0.0 110.989 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -125.06 6.92 7.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.983 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -65.06 149.31 97.0 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.743 0.306 . . . . 0.0 110.459 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.52 12.58 0.51 Allowed 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 122.909 2.406 . . . . 0.0 113.316 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -150.28 24.11 0.82 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.113 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 46.8 t -138.6 151.35 47.18 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 121.139 0.495 . . . . 0.0 111.595 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -144.47 25.43 1.51 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.987 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -74.33 148.4 41.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.055 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -128.5 145.08 51.21 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.206 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.3 162.79 23.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.12 -0.72 43.84 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -135.58 141.96 45.23 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.214 0.531 . . . . 0.0 110.881 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -59.02 -45.25 91.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.885 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -67.38 -33.65 75.66 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.409 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.61 -41.1 94.09 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -63.76 -43.97 94.83 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.744 174.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.97 -47.36 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.133 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.13 -46.5 85.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.588 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.59 -49.81 69.53 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.799 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -57.2 -37.78 72.7 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.856 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -15.74 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.039 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.6 mtt -113.42 7.73 17.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.346 0.423 0 CA-C-O 120.646 0.26 . . . . 0.0 110.972 -173.489 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.521 0 C3'-C2'-C1' 98.623 -2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-C2' 104.07 -1.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 0 O4'-C4'-C3' 109.464 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 O4'-C4'-C3' 109.135 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.084 0 C5'-C4'-C3' 110.396 -2.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.384 -3.513 1 O4'-C4'-C3' 110.13 4.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.613 0 O4'-C4'-C3' 108.616 3.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.639 4.598 0 O3'-P-O5' 97.026 -3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C4'-C3' 110.822 5.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.551 -4.19 0 C3'-C2'-C1' 97.729 -3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.415 ' C2 ' ' C4 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.618 4 C5'-C4'-C3' 104.97 -6.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.415 ' C4 ' ' C2 ' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.41 -1.601 0 C4'-C3'-C2' 99.213 -3.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 1 O4'-C4'-C3' 111.049 5.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.815 1 O4'-C4'-C3' 110.565 4.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O3'-P-O5' 97.028 -3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.372 0 P-O3'-C3' 123.712 3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 0 P-O3'-C3' 124.059 3.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.017 0 O4'-C4'-C3' 108.78 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C4'-C3' 110.245 4.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.47 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.393 2 P-O3'-C3' 126.179 5.399 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.532 ' H41' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.402 -3.969 2 O3'-P-O5' 95.366 -4.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.251 0 P-O3'-C3' 124.068 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.102 2 P-O3'-C3' 125.736 5.03 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 0 O4'-C4'-C3' 109.018 3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.828 0 P-O3'-C3' 123.892 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.326 1 O4'-C4'-C3' 109.658 4.058 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.408 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.414 -2.885 1 O4'-C4'-C3' 110.371 4.771 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.408 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.541 0 O4'-C4'-C3' 108.143 2.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.728 0 O4'-C4'-C3' 109.425 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.015 0 O4'-C4'-C3' 109.381 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.396 1 O4'-C4'-C3' 109.645 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 123.614 3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.574 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C4'-C3' 109.555 3.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.574 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.793 0 C5'-C4'-O4' 103.059 -3.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.62 0.248 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -61.33 -20.61 63.16 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.339 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.38 -27.43 69.3 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.134 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -81.27 74.18 8.28 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 120.933 0.397 . . . . 0.0 110.243 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -127.75 88.27 53.82 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.987 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.83 -33.5 71.47 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 122.756 2.304 . . . . 0.0 112.243 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 24' ' ' LEU . 76.7 m-85 -138.91 147.67 42.63 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.367 170.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.43 151.03 49.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 169.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.3 t -69.55 166.56 18.68 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.522 171.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.28 14.21 0.59 Allowed 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 57.8 t80 -63.43 148.57 93.44 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 172.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 11' ' ' TYR . 97.4 Cg_exo -55.22 -10.23 2.91 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 122.744 2.296 . . . . 0.0 113.945 -174.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.2 10.86 8.21 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 121.608 -0.329 . . . . 0.0 112.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.5 t -143.17 168.0 20.79 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.247 0.546 . . . . 0.0 111.496 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.62 24.02 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -76.26 150.41 37.01 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -170.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -98.68 127.12 44.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.222 0.534 . . . . 0.0 111.533 -172.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 24' ' ' LEU . 50.0 m-85 -109.37 170.13 8.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.357 1.063 . . . . 0.0 110.218 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -115.67 -8.92 12.03 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.502 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.67 143.12 50.06 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.014 0.435 . . . . 0.0 111.477 -176.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.73 -56.64 17.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.794 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -67.89 -38.42 82.99 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.899 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -70.42 -29.94 66.68 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -73.69 -39.1 64.64 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.026 169.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.75 -38.56 85.6 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.193 -0.317 . . . . 0.0 110.426 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.31 -44.86 95.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -57.87 -41.32 82.24 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -59.1 -34.39 71.96 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.025 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -38.44 69.71 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -36.66 69.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.639 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -80.36 -20.75 43.41 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.797 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.7 p -74.17 -32.88 63.27 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.009 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.28 -19.29 72.21 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.994 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.82 13.18 4.04 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 120.817 0.342 . . . . 0.0 110.676 172.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -147.24 69.11 11.55 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.054 169.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -85.44 179.51 3.95 Favored 'Trans proline' 0 CA--C 1.547 1.138 0 C-N-CA 123.159 2.573 . . . . 0.0 112.847 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HB3' HD22 ' A' ' 54' ' ' LEU . 33.7 m-85 -136.29 113.95 11.05 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.569 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -88.61 136.28 33.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.864 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.5 132.91 55.39 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -86.88 -4.41 59.17 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.231 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.06 116.26 6.28 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -13.67 39.1 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.038 -169.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.26 11.12 37.22 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-O 120.534 0.207 . . . . 0.0 111.195 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -120.62 -85.01 0.66 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.635 0.374 . . . . 0.0 110.557 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 65.37 26.03 12.03 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.737 0.415 . . . . 0.0 111.598 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.37 156.97 21.59 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.829 0.347 . . . . 0.0 110.263 170.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -110.85 144.39 39.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.88 139.47 51.15 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.912 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 p -91.23 10.5 26.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.465 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -149.06 144.83 26.94 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.329 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -59.47 -44.44 93.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -34.04 74.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -72.12 -41.84 66.74 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.683 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 37' ' ' TYR . 60.5 tp -60.85 -45.38 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.54 -44.68 95.84 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.382 0.273 . . . . 0.0 111.183 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' NH1' HH11 ' A' ' 78' ' ' ARG . 39.7 ttp180 -59.08 -46.48 88.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 174.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.1 -37.49 82.93 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.32 -27.12 21.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 122.468 -0.145 . . . . 0.0 111.293 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.99 -33.06 62.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 122.466 -0.146 . . . . 0.0 110.965 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.501 ' CZ ' " H2'" ' B' ' 129' ' ' ' DG' . 0.8 OUTLIER -68.0 -31.93 71.96 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 120.556 0.217 . . . . 0.0 111.051 178.418 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -87.72 -2.63 58.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.288 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 p -127.49 -2.65 6.15 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.442 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.94 57.74 Favored Glycine 0 CA--C 1.545 1.937 0 C-N-CA 121.649 -0.31 . . . . 0.0 113.449 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.84 140.9 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 117.099 0.45 . . . . 0.0 111.292 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -130.75 88.79 45.24 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.767 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 58.9 Cg_endo -76.63 -19.29 14.69 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.478 2.118 . . . . 0.0 113.531 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.566 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.9 m-85 -85.24 136.08 33.66 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -124.5 139.78 53.56 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.943 -0.117 . . . . 0.0 110.847 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.42 148.35 50.69 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.049 0.452 . . . . 0.0 110.403 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -2.76 58.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -76.48 0.57 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 -172.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.16 1.08 52.0 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 120.606 0.241 . . . . 0.0 111.411 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 59.11 22.87 11.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.48 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -72.19 134.4 45.65 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -95.18 144.91 25.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.073 0.463 . . . . 0.0 111.144 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.85 161.09 36.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.603 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 49.1 p -98.59 -9.59 24.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.72 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.517 HH11 ' NH1' ' A' ' 56' ' ' ARG . 37.1 mtm180 -137.6 138.56 39.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 p -57.09 -38.57 73.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.81 -42.2 88.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.451 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 65.5 m170 -67.3 -41.4 85.44 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.836 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -63.87 -47.18 81.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.474 0.178 . . . . 0.0 110.73 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.651 0.262 . . . . 0.0 110.655 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -66.2 -49.58 66.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.532 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -61.93 -34.87 76.88 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -54.22 -41.03 68.21 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -62.01 -22.96 66.13 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.951 -0.113 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -59.24 -46.2 89.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.338 0.255 . . . . 0.0 110.834 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -80.89 -18.66 46.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.737 0.303 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 m -91.88 -6.09 52.13 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.46 24.03 50.87 Favored Glycine 0 CA--C 1.545 1.941 0 C-N-CA 121.599 -0.334 . . . . 0.0 112.357 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -91.28 115.69 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.603 0.24 . . . . 0.0 111.016 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -125.15 83.42 60.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.173 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 91.4 Cg_endo -83.21 -17.87 6.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.624 2.216 . . . . 0.0 112.994 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.1 m-85 -85.54 77.39 9.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.799 0.333 . . . . 0.0 110.729 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 77.6 p -85.45 143.16 28.74 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.965 0.412 . . . . 0.0 110.928 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.9 t -70.08 143.19 52.51 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -107.06 6.71 29.22 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.146 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.72 150.74 90.23 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 120.75 0.309 . . . . 0.0 110.65 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.43 22.91 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.311 0 C-N-CA 122.978 2.452 . . . . 0.0 113.161 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.47 23.01 0.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.246 0.218 . . . . 0.0 110.997 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.6 t -146.65 158.29 43.88 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 120.988 0.423 . . . . 0.0 111.153 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -149.45 24.03 0.9 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.133 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 134.83 57.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.336 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 40.0 mttm -111.28 137.69 48.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.006 0.432 . . . . 0.0 111.465 -169.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -126.57 158.95 34.88 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.48 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.427 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.05 4.25 47.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.02 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -136.59 135.41 38.37 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.479 178.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.3 p -58.46 -41.49 85.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.599 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.35 -33.76 75.9 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.771 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -61.29 -42.93 99.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.52 -40.01 88.93 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.791 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.14 -45.83 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 174.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.88 -47.03 86.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.344 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -54.46 -49.95 68.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.771 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -57.65 -38.09 74.48 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -15.66 63.62 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.139 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.4 mtt -113.0 4.62 16.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 110.978 -173.305 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.4 0 C5'-C4'-C3' 111.552 -2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.63 0 O4'-C4'-C3' 107.554 1.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.408 0 C3'-C2'-C1' 98.124 -3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.106 0 C4'-C3'-C2' 104.972 1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.451 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.544 2.59 1 O5'-C5'-C4' 116.203 4.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.501 " H2'" ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C4'--C3' 1.5 -2.77 1 O3'-P-O5' 95.377 -4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 1 O4'-C4'-C3' 110.515 4.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 P-O3'-C3' 123.395 3.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.323 1 O4'-C4'-C3' 110.203 4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.278 1 O4'-C4'-C3' 110.394 4.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.451 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.401 -4.074 1 C5'-C4'-C3' 108.333 -4.244 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.451 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 P--O3' 1.642 2.935 0 O3'-P-O5' 96.652 -3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C4'-C3' 110.194 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.309 0 O3'-P-O5' 97.15 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C4'-C3' 109.581 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.522 0 O4'-C4'-C3' 109.336 3.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.795 0 O4'-C4'-C3' 108.78 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C4'-C3' 109.274 3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 1 O4'-C4'-C3' 110.983 5.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.424 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.57 1 P-O3'-C3' 125.01 4.425 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.424 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 O4'-C4'-C3' 108.932 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.246 3 P-O3'-C3' 125.555 4.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.279 2 O5'-C5'-C4' 116.952 4.823 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 P-O3'-C3' 123.909 3.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . 0.408 " H1'" " H5'" ' C' ' 149' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.042 0 C4'-C3'-C2' 100.785 -2.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . 0.408 " H5'" " H1'" ' C' ' 148' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 P-O3'-C3' 124.107 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.651 3.705 1 C5'-C4'-O4' 102.724 -4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 P-O3'-C3' 123.639 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.217 0 O4'-C1'-C2' 103.008 -2.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.744 1 O3'-P-O5' 96.162 -4.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.57 1 O4'-C4'-C3' 110.476 4.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 0 O4'-C4'-C3' 109.318 3.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.533 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.125 0 O4'-C4'-C3' 108.283 2.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.533 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.05 0 C3'-C2'-C1' 99.46 -2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.493 0.187 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -76.43 -1.27 26.22 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.464 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -75.91 64.9 1.91 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.869 0.366 . . . . 0.0 110.657 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -131.36 -10.37 3.66 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.404 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -156.2 162.24 27.87 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 122.37 0.268 . . . . 0.0 110.357 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -52.86 136.69 60.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -72.15 156.26 39.37 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 ptm -136.61 156.45 48.54 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.94 0.4 . . . . 0.0 111.651 169.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.9 t -68.1 160.08 29.63 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.343 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -105.91 -23.92 12.56 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.623 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.92 129.87 85.91 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.11 56.34 4.29 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.043 2.495 . . . . 0.0 112.747 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.47 -28.63 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t -84.91 -69.68 0.63 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.523 0.329 . . . . 0.0 110.401 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.26 40.1 1.11 Allowed 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.168 0.587 . . . . 0.0 111.62 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -78.16 155.65 30.32 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -102.8 132.15 49.18 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.105 0.479 . . . . 0.0 111.288 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.69 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.4 m-85 -118.53 169.48 9.75 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.909 -173.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -116.95 -51.96 2.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.186 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 44.5 mttp -79.29 113.24 17.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -48.64 -47.29 40.42 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.409 -175.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -68.21 -35.66 78.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.3 -32.9 73.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 120.744 -0.383 . . . . 0.0 109.988 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -71.62 -44.13 64.93 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.235 171.162 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -58.16 -38.52 76.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -41.68 87.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.723 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -57.95 -38.76 76.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.579 0.228 . . . . 0.0 110.593 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 t -59.12 -34.65 72.29 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.136 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.654 HH22 ' N4 ' ' C' ' 144' ' ' ' DC' . 3.6 tpp180 -55.6 -38.29 69.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -39.31 73.31 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.112 0.257 . . . . 0.0 110.857 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -79.69 -32.5 41.39 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.478 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' NH1' ' A' ' 29' ' ' ARG . 44.3 p -56.95 -20.25 22.56 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.52 177.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.86 3.57 86.91 Favored Glycine 0 CA--C 1.549 2.164 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.472 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.2 50.01 1.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.903 0.481 . . . . 0.0 110.572 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.23 93.4 11.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.543 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 98.78 1.03 Allowed 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.717 2.278 . . . . 0.0 112.645 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.4 m-85 -102.87 172.05 7.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.49 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.54 152.26 51.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.29 137.45 11.0 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.966 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.3 -2.05 58.05 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.317 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -69.71 152.98 44.02 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.103 0.478 . . . . 0.0 110.982 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -74.31 -11.9 60.39 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.683 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -138.4 38.94 2.27 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.647 0.26 . . . . 0.0 111.103 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.7 t -137.39 165.45 26.19 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 110.68 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.29 20.69 0.95 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.869 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.87 124.78 25.13 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.256 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -95.73 151.12 19.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.0 m-85 -134.59 164.76 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.961 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -109.54 5.44 23.17 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -151.28 157.21 42.25 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 172.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -59.33 -41.45 89.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.69 -36.57 80.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.342 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.92 -44.29 93.35 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.478 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -65.83 -45.91 80.52 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.983 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.05 -39.25 89.09 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.808 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -47.37 86.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.312 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 61.2 t60 -60.78 -37.94 83.59 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.157 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -53.24 -37.92 62.51 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.932 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -55.3 -33.18 63.05 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 122.489 -0.132 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.64 -36.99 80.03 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 120.495 0.188 . . . . 0.0 111.173 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -89.1 -30.33 18.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.265 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -90.3 -19.37 24.15 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.229 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.79 2.75 88.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 121.774 -0.251 . . . . 0.0 113.016 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 m -71.62 145.52 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.084 0.469 . . . . 0.0 111.01 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -132.37 83.89 53.46 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.269 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -65.5 -20.06 60.71 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.793 2.329 . . . . 0.0 113.456 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.766 ' HB3' HD13 ' A' ' 82' ' ' LEU . 42.7 m-85 -102.15 131.11 48.86 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-O 120.471 0.177 . . . . 0.0 110.58 -175.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -124.29 141.55 51.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.563 0.221 . . . . 0.0 110.778 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.26 148.43 50.22 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 3.11 52.67 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.865 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.35 -75.46 0.59 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.528 -173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.92 2.99 54.42 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.394 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 63.01 19.97 11.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 122.653 0.381 . . . . 0.0 111.605 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.83 125.12 24.9 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.432 0.293 . . . . 0.0 110.688 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -87.87 148.98 24.39 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.0 0.429 . . . . 0.0 111.062 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -143.98 155.89 44.2 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.197 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -95.74 -1.61 49.51 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.535 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -135.3 135.91 41.18 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.855 0.359 . . . . 0.0 110.803 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -62.16 -42.42 99.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.81 -36.1 82.79 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.278 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 2.8 m-70 -67.25 -44.38 79.55 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 173.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -64.39 -47.5 78.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.509 0.195 . . . . 0.0 110.8 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -61.03 -34.29 74.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.328 0.251 . . . . 0.0 110.574 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.2 m -69.78 -49.67 50.62 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.755 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -61.54 -33.57 74.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.764 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.12 -41.11 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.674 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.412 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 59.3 mtt180 -62.63 -23.13 66.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.609 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -62.23 -26.87 68.61 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 120.435 0.16 . . . . 0.0 110.666 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -94.76 -27.68 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.34 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 21.3 p -91.79 -6.24 52.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.94 9.09 45.33 Favored Glycine 0 CA--C 1.551 2.289 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.796 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.94 94.19 0.83 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -118.07 76.65 11.85 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.56 -20.34 12.31 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.543 2.162 . . . . 0.0 112.815 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.1 74.39 8.1 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.069 0.461 . . . . 0.0 110.656 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -78.99 145.92 33.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.617 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.423 ' HA ' HD11 ' A' ' 112' ' ' LEU . 6.0 t -71.72 120.02 16.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -88.42 6.96 34.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.429 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -63.27 144.79 97.39 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 120.658 0.266 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.72 30.12 0.35 Allowed 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 123.089 2.526 . . . . 0.0 112.681 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -163.73 22.05 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.926 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.6 t -141.15 172.33 12.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.151 0.5 . . . . 0.0 111.126 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.46 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.3 tp-100 -165.95 24.83 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -75.81 150.02 37.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -128.48 142.16 51.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.043 -172.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -129.89 159.65 35.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.812 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.98 0.95 42.09 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.085 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -133.72 140.71 47.17 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.182 0.515 . . . . 0.0 110.813 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 p -59.9 -44.5 94.22 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.047 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -67.4 -33.71 75.76 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.447 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.68 -41.85 95.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.7 tp -65.58 -41.83 92.42 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.997 175.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.03 -46.47 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-O 120.901 0.382 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.46 -46.63 88.23 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.487 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.95 -44.3 94.5 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.022 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.66 -33.4 66.34 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.784 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -16.34 63.81 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-N 116.974 -0.103 . . . . 0.0 111.183 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -81.67 -12.58 58.61 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.499 0.19 . . . . 0.0 111.028 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.343 176.874 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.629 0 O4'-C4'-C3' 108.966 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 O4'-C4'-C3' 109.148 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.551 0 C1'-O4'-C4' 105.093 -3.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.315 0 P-O3'-C3' 124.006 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.466 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C4'--C3' 1.613 8.48 2 C5'-C4'-C3' 105.105 -6.396 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.443 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.631 3.811 2 O3'-P-O5' 91.814 -6.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.786 1 P-O3'-C3' 125.839 5.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 O3'-P-O5' 98.068 -3.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.176 0 O4'-C4'-C3' 109.4 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 3 C4'-C3'-C2' 97.931 -5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.473 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.493 -2.527 4 O4'-C4'-C3' 110.461 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.473 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.554 3.615 0 O3'-P-O5' 99.52 -2.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.579 6.131 1 C5'-C4'-C3' 107.606 -4.73 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.042 1 O4'-C4'-C3' 109.927 4.327 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O3'-P-O5' 96.499 -3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 C4'-C3'-C2' 99.539 -3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 0 O4'-C4'-C3' 109.026 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.222 0 O4'-C4'-C3' 108.237 2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 1 O4'-C4'-C3' 110.001 4.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 P-O3'-C3' 124.26 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.654 ' N4 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 1 O4'--C4' 1.4 -4.193 1 P-O3'-C3' 125.078 4.481 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . 0.41 ' H62' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.406 -3.658 1 P-O3'-C3' 125.173 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O5'-C5'-C4' 115.445 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 O4'-C4'-C3' 109.131 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 2.972 1 P-O3'-C3' 125.47 4.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.068 0 C5'-C4'-C3' 108.784 -3.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.419 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.622 2.857 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.419 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.82 0 C4'-C3'-C2' 100.634 -2.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.471 0 O4'-C4'-C3' 108.894 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.558 4.021 0 O4'-C1'-C2' 101.812 -3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.636 0 O3'-P-O5' 97.909 -3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.231 0 P-O3'-C3' 124.084 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.572 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.407 0 O4'-C4'-C3' 109.218 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.572 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 3.044 0 O4'-C4'-C3' 108.803 3.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.98 0 CA-C-O 120.694 0.283 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -165.16 148.17 8.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.716 0.293 . . . . 0.0 110.629 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -88.19 167.57 13.49 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -126.98 19.58 7.07 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.241 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -64.28 160.07 52.9 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.446 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.95 95.94 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.421 2.081 . . . . 0.0 112.146 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -88.8 152.22 21.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.643 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 ptm -136.57 146.12 45.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 168.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.59 157.98 25.54 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.508 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.68 16.5 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -79.4 134.61 58.23 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 120.669 0.271 . . . . 0.0 110.885 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.66 152.21 82.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.396 2.064 . . . . 0.0 111.885 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.3 -7.13 54.78 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.225 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.6 t -128.93 -87.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 122.53 0.332 . . . . 0.0 110.384 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.8 m120 51.14 26.61 2.95 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.883 0.473 . . . . 0.0 111.584 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.32 159.26 32.65 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 120.844 0.354 . . . . 0.0 111.036 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -98.74 134.64 41.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.416 -171.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 89.7 m-85 -119.91 165.47 14.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.626 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -132.64 5.79 4.01 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.853 -174.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 71.8 mttt -143.74 98.84 3.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.272 0.229 . . . . 0.0 110.604 178.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.11 -42.22 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.656 -170.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.65 77.37 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 120.97 0.414 . . . . 0.0 112.082 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -59.41 -45.18 92.24 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -62.13 -34.19 75.9 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.47 171.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.26 -47.2 84.36 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.096 -0.377 . . . . 0.0 110.261 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.48 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -57.98 -41.07 82.18 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 120.705 0.288 . . . . 0.0 110.674 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 p -59.18 -35.13 73.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.591 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 ttm105 -55.94 -38.55 70.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -56.57 -36.15 68.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.048 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -89.67 -28.72 19.27 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 119.469 -0.3 . . . . 0.0 111.752 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -44.46 -29.47 0.71 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.3 33.71 1.54 Allowed Glycine 0 CA--C 1.554 2.515 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.712 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -109.82 -32.79 6.94 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.846 0.323 . . . . 0.0 111.78 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -42.6 108.32 0.62 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 122.679 0.392 . . . . 0.0 111.67 -169.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.3 85.17 1.87 Allowed 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 122.776 2.317 . . . . 0.0 112.835 -174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.7 m-85 -73.38 171.5 12.97 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.006 169.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -129.13 157.89 40.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.23 130.93 40.42 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.184 0.516 . . . . 0.0 111.12 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.46 -4.69 46.77 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.361 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.32 -19.59 62.29 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.041 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 72.65 -44.7 0.6 Allowed 'General case' 0 N--CA 1.503 2.187 0 C-N-CA 123.427 0.691 . . . . 0.0 111.701 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -75.85 -20.34 58.19 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.592 0.234 . . . . 0.0 110.85 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -79.79 167.55 20.45 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.91 29.43 3.14 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -177.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -94.82 165.47 12.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.707 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.32 151.33 43.5 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.615 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -136.98 139.4 41.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 -175.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -84.0 1.69 42.52 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.714 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -146.3 147.03 30.95 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.972 0.415 . . . . 0.0 111.005 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 t -59.36 -41.83 90.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.3 -37.21 86.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.335 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.494 HE22 ' NH1' ' A' ' 56' ' ' ARG . 46.9 tp60 -69.14 -37.46 78.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 120.633 0.254 . . . . 0.0 110.599 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -67.22 -40.87 86.44 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -64.55 -36.4 84.09 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.471 0.177 . . . . 0.0 110.778 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' NH1' HE22 ' A' ' 53' ' ' GLN . 22.6 ttm180 -62.31 -47.72 83.04 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 171.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.2 t60 -60.76 -38.39 85.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.302 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -53.3 -38.46 63.17 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.147 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -33.3 71.96 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 122.456 -0.152 . . . . 0.0 110.929 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.17 -31.65 65.62 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.468 0.175 . . . . 0.0 111.043 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -102.6 -2.7 27.9 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -132.08 -9.69 3.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.69 -107.32 2.14 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.5 t 65.81 -68.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 123.348 0.659 . . . . 0.0 111.696 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 45.67 72.92 1.08 Allowed Pre-proline 0 N--CA 1.488 1.455 0 C-N-CA 122.891 0.476 . . . . 0.0 110.682 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.82 -17.78 32.5 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.853 2.368 . . . . 0.0 113.692 -169.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 92.5 m-85 -83.53 124.28 30.59 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -124.29 134.16 53.28 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 122.326 -0.234 . . . . 0.0 110.487 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.76 124.45 21.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.08 0.467 . . . . 0.0 110.576 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -5.05 43.02 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.533 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -48.05 7.23 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.487 0.184 . . . . 0.0 110.588 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 11.4 p -115.51 -79.46 0.59 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 167.12 4.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.797 1.239 . . . . 0.0 110.109 -178.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.75 110.27 0.77 Allowed 'General case' 0 C--N 1.349 0.579 0 C-N-CA 122.818 0.447 . . . . 0.0 110.666 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -87.72 139.09 30.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.162 0.506 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -132.93 158.81 41.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.318 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 t -95.28 -4.32 45.85 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.422 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -138.09 141.12 40.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 p -62.35 -40.06 95.16 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -60.93 -37.49 82.51 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.304 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.5 m-70 -69.34 -44.46 71.57 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 120.436 0.16 . . . . 0.0 110.644 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.1 tt -64.77 -44.83 88.77 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.424 0.154 . . . . 0.0 110.942 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -65.92 -34.43 78.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.564 0.221 . . . . 0.0 110.569 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 m -63.6 -49.36 73.66 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.484 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.434 ' O ' ' HB ' ' A' ' 88' ' ' THR . 72.0 t60 -62.12 -36.01 80.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.3 m -57.99 -41.7 83.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.501 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -67.6 -23.81 65.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 122.429 -0.169 . . . . 0.0 110.828 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 99.8 m -71.89 -30.49 65.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.793 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -84.4 -24.6 29.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.656 0.265 . . . . 0.0 110.566 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -91.72 -6.1 52.53 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.65 17.39 53.83 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.172 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -79.06 93.02 5.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.597 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -118.06 79.73 14.43 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.641 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.0 -19.15 8.46 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.746 2.297 . . . . 0.0 113.181 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -78.53 77.8 5.01 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 0.0 110.729 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -78.79 145.87 34.1 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.28 161.1 31.0 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.551 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -117.37 -3.47 11.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.994 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -69.3 127.02 93.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.48 -14.2 36.59 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.563 2.175 . . . . 0.0 113.018 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -101.75 18.66 19.88 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.355 0.262 . . . . 0.0 111.151 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.33 -86.42 0.2 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.276 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 61.74 39.14 14.47 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.794 0.438 . . . . 0.0 111.379 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 160.58 29.82 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 170.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -124.31 140.37 53.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -128.89 161.02 30.82 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.672 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.44 0.61 40.06 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.055 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -135.86 139.18 43.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.151 0.5 . . . . 0.0 110.897 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.8 t -59.36 -42.89 92.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.987 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -67.39 -33.8 75.94 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.66 -43.28 97.83 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.73 -42.62 97.86 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.858 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.17 -47.58 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 120.681 0.277 . . . . 0.0 110.401 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -62.37 -46.89 86.59 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.259 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -55.37 -45.3 76.56 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.132 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -59.09 -33.57 70.98 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.546 0.212 . . . . 0.0 111.019 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.57 -15.66 62.28 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 122.413 -0.179 . . . . 0.0 111.107 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 46.1 mtt -80.22 -7.8 59.15 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.369 0.128 . . . . 0.0 111.089 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.349 0.55 0 CA-C-O 120.775 0.321 . . . . 0.0 110.464 176.887 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . 0.407 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.112 0 C3'-C2'-C1' 99.343 -2.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . 0.407 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 0 P--O3' 1.641 2.82 0 P-O3'-C3' 122.58 2.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 2 C3'-C2'-C1' 96.119 -4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.484 0 P-O3'-C3' 124.0 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.44 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 O4'-C4'-C3' 108.114 2.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.469 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.54 3.668 0 O3'-P-O5' 98.338 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.07 1 O4'-C4'-C3' 110.429 4.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 C5'-C4'-C3' 109.742 -3.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.357 1 O4'-C4'-C3' 109.614 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.433 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.621 3 C4'-C3'-C2' 96.426 -6.774 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.549 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 4 P--O5' 1.659 6.614 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.549 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 P--O5' 1.565 -2.798 3 C4'-C3'-C2' 97.368 -5.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.143 1 O4'-C4'-C3' 109.979 4.379 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.65 5.654 2 O4'-C4'-C3' 110.95 5.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.399 1 O3'-P-O5' 94.31 -5.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 P-O3'-C3' 124.243 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 P-O3'-C3' 123.971 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.348 0 O4'-C4'-C3' 107.553 1.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.425 2 O5'-C5'-C4' 116.448 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.451 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.324 1 P-O3'-C3' 125.019 4.432 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.451 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 1 P--O5' 1.644 5.144 0 C4'-C3'-O3' 102.12 -3.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.531 0 P-O3'-C3' 123.709 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . 0.494 ' H1 ' ' H42' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.404 -3.833 2 O5'-C5'-C4' 116.792 4.709 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.681 0 O4'-C4'-C3' 109.141 3.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.308 0 P-O3'-C3' 123.693 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.367 0 C5'-C4'-C3' 109.192 -3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.405 -2.013 1 O4'-C4'-C3' 109.774 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.579 2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.087 0 P-O3'-C3' 123.478 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 108.8 3.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C4'-C3' 110.677 5.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.864 0 O4'-C4'-C3' 108.884 3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.546 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.505 0 C5'-C4'-C3' 109.011 -3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.546 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.845 0 O4'-C4'-C3' 109.285 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 120.67 0.271 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -166.55 168.42 14.65 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -138.89 163.96 30.93 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.657 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.41 65.49 2.97 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 121.012 0.434 . . . . 0.0 110.567 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -126.74 87.03 57.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.594 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.66 177.73 7.65 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.723 2.282 . . . . 0.0 112.235 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.95 150.43 20.17 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.914 172.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.9 mtp -136.45 150.3 48.66 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 121.997 -0.439 . . . . 0.0 110.011 168.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -71.05 158.36 36.63 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 -28.24 11.35 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.21 138.77 73.56 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.119 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.19 151.82 83.78 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.475 2.117 . . . . 0.0 112.19 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.91 -26.65 2.04 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -96.48 -88.53 0.28 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.426 0.291 . . . . 0.0 110.471 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m120 46.42 38.66 5.58 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -86.72 164.07 16.96 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.55 148.27 26.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.27 0.557 . . . . 0.0 111.646 -172.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.764 ' CD2' HD23 ' A' ' 24' ' ' LEU . 98.2 m-85 -135.41 160.47 38.36 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.579 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.57 -50.72 2.61 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -77.17 123.89 27.05 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.635 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.48 -47.0 66.8 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.438 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 p -68.07 -36.07 79.23 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -34.93 69.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -69.08 -32.28 71.62 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.998 169.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.57 -40.94 93.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 122.272 -0.267 . . . . 0.0 110.645 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -42.58 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 172.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.94 -45.03 87.22 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -59.18 -35.0 72.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.09 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -55.71 -38.17 69.37 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.543 0.211 . . . . 0.0 110.697 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.23 -38.77 71.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -87.21 -33.97 19.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.551 0.215 . . . . 0.0 110.877 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -49.06 -32.2 9.13 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.926 171.07 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.13 -38.74 29.08 Favored Glycine 0 CA--C 1.544 1.852 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.65 69.81 3.94 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.695 0.284 . . . . 0.0 111.382 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 117.56 68.26 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.84 148.55 28.5 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.499 2.133 . . . . 0.0 112.907 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -148.54 178.8 8.31 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.759 176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.59 155.72 48.18 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.971 169.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 t -49.1 132.68 19.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.5 3.86 54.89 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -65.45 154.52 38.27 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.756 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp -70.88 -12.26 61.44 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.866 -172.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -142.81 43.09 1.59 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.618 0.247 . . . . 0.0 111.229 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -145.44 166.44 25.64 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.17 0.51 . . . . 0.0 110.919 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.36 22.11 0.63 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.618 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -65.72 128.43 35.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.03 148.94 23.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -174.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -133.66 161.66 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.571 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 p -108.12 7.26 27.51 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -158.23 156.83 31.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.237 0.541 . . . . 0.0 111.669 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -58.67 -44.48 90.22 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.022 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.85 -34.15 76.14 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.251 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.88 -46.23 88.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.683 0.278 . . . . 0.0 110.462 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.19 -45.58 84.23 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.08 -37.97 89.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.53 0.205 . . . . 0.0 110.853 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -61.2 -45.78 93.18 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.298 172.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.429 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 64.5 t60 -60.66 -39.56 88.83 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.875 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.32 -37.84 62.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.125 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -55.17 -33.35 62.91 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 122.291 -0.255 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -66.69 -38.42 86.75 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.11 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -82.26 -31.31 30.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.591 0.234 . . . . 0.0 111.083 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -79.01 -49.74 12.21 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.772 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.22 -3.39 25.3 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -72.74 138.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.074 0.464 . . . . 0.0 111.424 -173.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -138.78 80.85 24.14 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.301 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.48 -19.82 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 122.654 2.236 . . . . 0.0 113.279 -171.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.1 m-85 -83.84 92.76 7.84 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.345 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -98.91 135.46 40.3 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.62 148.15 51.49 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.464 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -98.47 8.15 45.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.56 -59.8 1.97 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 29.5 p -99.56 -22.15 15.59 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.281 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 91.26 6.18 0.08 Allowed 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.801 0.841 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -61.68 128.09 34.58 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.739 0.304 . . . . 0.0 110.62 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.57 138.4 36.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.944 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -130.28 163.12 27.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -105.63 3.12 28.82 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.21 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.49 122.04 17.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 -175.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.2 p -51.92 -42.08 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.915 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.37 -34.88 74.51 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.393 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.451 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.0 m-70 -73.42 -39.63 64.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.807 175.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -68.11 -42.72 79.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.425 0.155 . . . . 0.0 110.925 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.38 -39.8 95.49 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.695 0.283 . . . . 0.0 110.416 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 m -62.93 -49.5 74.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.559 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -62.46 -34.87 77.67 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.074 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -54.31 -41.35 68.86 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.676 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -65.06 -22.82 67.03 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.376 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.1 p -68.29 -30.16 69.1 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.908 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -93.66 -20.54 20.08 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.814 0.34 . . . . 0.0 110.747 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 m -97.56 4.85 50.19 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.8 26.46 5.64 Favored Glycine 0 CA--C 1.547 2.043 0 C-N-CA 121.437 -0.411 . . . . 0.0 112.613 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.26 92.21 9.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.892 0.377 . . . . 0.0 110.916 -169.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -113.66 87.43 12.01 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -87.17 -21.98 1.85 Allowed 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 122.65 2.233 . . . . 0.0 112.985 -176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.7 m-85 -79.6 79.37 6.08 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -175.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 t -81.75 143.01 32.12 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.6 t -70.48 161.21 30.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.3 0.571 . . . . 0.0 111.149 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -131.89 14.5 4.8 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.754 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.74 163.76 52.2 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -48.34 107.23 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.006 2.471 . . . . 0.0 112.944 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t 65.66 16.84 10.68 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.158 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.6 t -88.75 164.56 15.21 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.174 0.511 . . . . 0.0 110.933 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 5.0 tp-100 -165.43 29.28 0.06 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.425 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -71.16 128.2 35.11 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.146 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -105.5 142.26 35.56 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -171.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.05 159.37 34.37 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.653 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.66 4.03 42.92 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -138.73 136.21 35.53 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 110.406 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.415 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.4 p -58.22 -42.99 87.47 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.8 -177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -67.21 -33.52 75.54 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.676 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -60.53 -41.24 94.05 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 57.4 tp -63.07 -45.4 92.34 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.599 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.91 -43.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.406 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.22 -46.54 88.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -54.44 -49.72 69.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.664 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -56.73 -39.1 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.777 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -17.31 63.29 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 120.569 0.223 . . . . 0.0 111.115 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.7 mtp -108.07 6.16 26.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 122.478 0.311 . . . . 0.0 110.935 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 120.733 0.302 . . . . 0.0 111.047 -172.741 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.013 0 C3'-C2'-C1' 98.828 -2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 1 O4'-C4'-C3' 110.038 4.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.036 0 C3'-C2'-C1' 97.959 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 C4'-C3'-C2' 105.206 2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.438 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.545 2.731 0 O4'-C1'-C2' 102.571 -3.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.451 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.849 0 C2'-C3'-O3' 118.937 3.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.357 1 P-O3'-C3' 124.841 4.284 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.661 0 O3'-P-O5' 98.436 -2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O3'-P-O5' 97.726 -3.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.376 -3.386 2 C4'-C3'-C2' 98.452 -4.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.412 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.394 -4.762 2 C5'-C4'-C3' 104.291 -6.939 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.436 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 P--O3' 1.655 4.022 0 O4'-C1'-C2' 101.945 -3.778 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . 0.436 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 0 P--O5' 1.624 3.069 0 O4'-C1'-C2' 110.029 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 P-O3'-C3' 123.624 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 2 O4'-C4'-C3' 111.112 5.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.914 0 O3'-P-O5' 96.405 -3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.638 2.598 1 P-O3'-C3' 125.673 4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C4'-C3' 109.341 3.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.285 0 P-O3'-C3' 124.176 3.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.428 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.561 3.297 1 P-O3'-C3' 125.028 4.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.428 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.688 1 P-O3'-C3' 126.009 5.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.803 0 O4'-C4'-C3' 108.776 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.36 2 P-O3'-C3' 125.598 4.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C4'-C3' 108.652 3.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.586 0 P-O3'-C3' 123.824 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C4'-C3' 109.144 3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.45 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.628 3.506 1 O4'-C4'-C3' 111.901 6.301 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.45 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 P--O5' 1.636 4.316 1 O4'-C4'-C3' 109.713 4.113 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.641 1 P-O3'-C3' 125.08 4.483 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.377 2 O4'-C1'-C2' 100.976 -4.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O3'-P-O5' 97.085 -3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.726 1 O4'-C4'-C3' 112.085 6.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.509 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O3' 1.627 1.641 0 O4'-C4'-C3' 108.936 3.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.509 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.09 0 C3'-C2'-C1' 99.266 -2.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -18.39 64.88 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.092 176.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -81.06 -3.64 52.58 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.641 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -68.41 -8.79 43.65 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.62 85.19 7.31 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.862 0.363 . . . . 0.0 110.499 170.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.92 -54.16 3.04 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.687 2.258 . . . . 0.0 112.436 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -118.95 152.33 36.54 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -136.63 154.15 50.73 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.753 0.311 . . . . 0.0 110.438 168.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 43.7 t -71.02 166.52 21.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.073 169.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -117.92 -15.71 9.96 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.143 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -65.19 128.74 94.06 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.545 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.23 -38.25 51.0 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.942 2.428 . . . . 0.0 113.188 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.47 9.48 49.32 Favored Glycine 0 CA--C 1.548 2.113 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.906 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.01 -86.53 0.21 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.691 0.246 . . . . 0.0 110.845 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.94 21.5 10.53 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.654 0.382 . . . . 0.0 111.154 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -78.95 162.96 25.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -173.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -98.83 131.04 45.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.34 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.701 ' CD1' HD23 ' A' ' 24' ' ' LEU . 79.8 m-85 -116.65 159.77 21.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.547 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -118.91 -10.43 9.89 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.771 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 77.9 mttt -124.97 134.27 52.68 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.64 -50.44 73.48 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 p -67.94 -35.81 79.05 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.33 -40.61 81.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.515 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.63 -39.01 80.94 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.427 171.449 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -45.32 88.07 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.266 -0.271 . . . . 0.0 110.41 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.33 -41.13 96.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -57.97 -38.86 76.82 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.596 0.236 . . . . 0.0 110.473 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -59.2 -35.21 73.2 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -56.02 -38.36 70.42 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.874 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -38.97 77.21 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.989 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -80.0 -26.91 39.68 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.284 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 p -56.33 -32.79 65.01 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.396 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 6.37 70.13 Favored Glycine 0 CA--C 1.541 1.707 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.495 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -127.17 11.89 7.05 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.78 0.432 . . . . 0.0 110.848 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 115.41 13.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 122.508 0.323 . . . . 0.0 110.783 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.61 95.5 1.05 Allowed 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 122.577 2.185 . . . . 0.0 112.608 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.657 ' HB3' HD22 ' A' ' 54' ' ' LEU . 96.4 m-85 -93.67 164.37 13.18 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 169.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.63 156.22 47.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.148 169.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.44 150.27 15.37 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -102.68 -0.93 31.01 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.742 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 97.4 m-85 -75.36 155.47 36.45 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 111.231 -176.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -72.14 0.17 10.36 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.2 171.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -140.07 16.12 2.45 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.433 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 t -135.27 154.52 51.53 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 111.028 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -146.54 22.28 1.31 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.521 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -73.81 132.86 43.01 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.236 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -94.24 151.61 19.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.1 m-85 -135.55 162.51 32.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.17 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -103.2 0.44 31.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.643 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -155.61 160.55 40.53 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.886 0.374 . . . . 0.0 110.97 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -44.56 96.28 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.45 -33.95 77.07 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' CD ' ' H41' ' B' ' 132' ' ' ' DC' . 55.0 mm-40 -70.49 -40.96 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.703 0.287 . . . . 0.0 110.769 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 37' ' ' TYR . 25.2 tp -65.26 -41.1 94.61 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 172.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.61 -36.87 85.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.543 0.211 . . . . 0.0 111.067 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.63 -47.44 85.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.5 t60 -60.9 -37.4 82.11 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.256 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -53.35 -38.07 62.96 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.866 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -55.35 -33.23 63.21 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.364 0.126 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.11 -33.57 76.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.176 0.191 . . . . 0.0 111.197 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 46.9 m-70 -83.15 -38.44 22.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.732 0.301 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -86.77 -19.52 28.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.467 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.81 2.4 70.37 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 121.576 -0.345 . . . . 0.0 112.467 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.19 108.34 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.915 0.388 . . . . 0.0 110.795 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -112.72 90.38 15.01 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.85 -20.57 5.33 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.533 2.155 . . . . 0.0 113.367 -169.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -81.37 80.25 7.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.73 133.94 34.79 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.039 0.447 . . . . 0.0 111.25 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.69 124.62 22.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.261 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -10.05 6.16 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.79 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -64.83 1.1 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.19 0.196 . . . . 0.0 110.975 -173.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -106.01 2.66 27.54 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.456 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 64.56 16.62 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.85 0.46 . . . . 0.0 111.816 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -65.65 121.94 16.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.67 0.271 . . . . 0.0 110.531 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.87 123.82 33.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.946 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -114.1 162.47 16.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.448 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 p -99.42 -10.21 22.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.594 HH21 ' CE1' ' A' ' 81' ' ' HIS . 18.9 mtm180 -135.15 147.27 49.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -175.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -68.67 -39.19 80.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -63.17 -34.97 78.78 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.594 ' CE1' HH21 ' A' ' 78' ' ' ARG . 3.6 m-70 -76.1 -38.43 56.95 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.849 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.7 tt -66.13 -41.76 90.04 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.539 0.209 . . . . 0.0 110.752 175.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -65.86 -36.27 82.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.747 0.308 . . . . 0.0 110.603 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -66.61 -49.27 66.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.632 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -61.96 -34.92 77.01 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -57.38 -41.48 80.29 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.604 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -65.8 -23.44 66.7 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.466 -0.146 . . . . 0.0 110.865 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -71.6 -27.7 63.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.911 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -91.4 -18.63 23.94 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.652 0.263 . . . . 0.0 110.843 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -98.49 -6.45 30.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.16 13.26 53.0 Favored Glycine 0 CA--C 1.547 2.078 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.442 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.96 96.98 5.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -122.95 84.76 50.5 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.396 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -85.57 -19.45 3.5 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.721 2.281 . . . . 0.0 113.155 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -81.8 80.37 8.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 -175.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 89.0 p -82.94 143.43 30.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.353 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.2 t -70.35 160.48 32.2 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.487 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 -134.8 13.35 3.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.552 -174.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -63.37 155.43 74.78 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 19.37 0.22 Allowed 'Trans proline' 0 CA--C 1.554 1.483 0 C-N-CA 122.926 2.418 . . . . 0.0 113.332 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 m -163.33 26.34 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 122.214 0.206 . . . . 0.0 110.939 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -147.97 160.59 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.174 0.512 . . . . 0.0 111.544 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -155.23 25.54 0.42 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.069 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -63.65 138.88 58.68 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.487 -175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 79.5 mttt -109.64 143.23 39.66 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.988 0.423 . . . . 0.0 111.438 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.79 162.63 25.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.385 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.5 3.9 43.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -136.71 136.76 39.29 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 110.617 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 23.7 p -58.0 -45.27 87.08 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.749 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.16 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.441 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.6 -41.63 95.13 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.98 -44.49 89.15 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.86 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.03 -43.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.156 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -62.42 -46.87 86.61 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.384 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -55.03 -49.84 70.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.79 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -56.83 -39.27 73.91 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.015 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -72.77 -15.67 61.65 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.567 0.222 . . . . 0.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtt -105.31 3.86 30.34 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.945 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.345 0.403 0 CA-C-O 120.673 0.273 . . . . 0.0 110.947 -172.56 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.307 0 C3'-C2'-C1' 98.633 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.649 3.489 0 O4'-C4'-C3' 108.384 2.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 P-O3'-C3' 123.108 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 P-O3'-C3' 122.685 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.135 2 C3'-C2'-C1' 94.226 -6.053 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C5'-C4'-O4' 113.325 2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.07 1 P-O3'-C3' 125.223 4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.807 2 C4'-C3'-C2' 98.002 -5.198 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . 0.508 ' H41' ' CD ' ' A' ' 53' ' ' GLN . . . . . . . . 1 O4'--C4' 1.397 -4.419 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.763 0 O5'-C5'-C4' 114.088 2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.267 1 P-O3'-C3' 125.456 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.586 9.379 0 C5'-C4'-C3' 108.912 -3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.649 5.633 0 O5'-C5'-C4' 104.699 -3.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.463 1 O3'-P-O5' 93.664 -5.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.049 1 P-O3'-C3' 124.588 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.628 2 O4'-C4'-C3' 110.367 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 0 P-O3'-C3' 123.828 3.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.085 0 O4'-C4'-C3' 109.223 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.162 1 O5'-C5'-C4' 115.829 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.962 2 O3'-P-O5' 95.618 -4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.352 1 P-O3'-C3' 124.848 4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 0 O4'-C4'-C3' 109.293 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.373 -3.631 0 P-O3'-C3' 124.231 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 2 O4'-C4'-C3' 109.851 4.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.658 1 O4'-C4'-C3' 109.632 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 2 O4'-C4'-C3' 110.257 4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.387 -3.316 4 C4'-C3'-C2' 98.334 -4.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.658 0 P-O3'-C3' 123.859 3.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.788 0 P-O3'-C3' 121.933 1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.696 0 O4'-C4'-C3' 108.486 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.132 0 O4'-C4'-C3' 108.996 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.393 -2.952 0 P-O3'-C3' 123.382 3.069 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.491 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O5' 1.619 2.647 2 O4'-C4'-C3' 110.372 4.772 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.491 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.627 0 C3'-C2'-C1' 98.486 -3.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 120.608 0.242 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -62.83 -17.93 62.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.089 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -58.5 -21.74 52.92 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.151 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.12 -20.81 66.64 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.232 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -106.09 107.88 60.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.463 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.32 86.87 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.476 2.117 . . . . 0.0 111.73 174.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 65.4 m-85 -73.5 70.88 1.3 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.058 -176.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.534 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -80.52 142.93 33.7 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 118.67 -1.212 . . . . 0.0 111.96 -173.403 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 52.8 t -64.11 167.74 6.15 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.526 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.41 -8.14 10.09 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.17 140.39 90.68 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.775 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.71 149.28 90.62 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.426 2.084 . . . . 0.0 112.028 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.9 -31.24 2.27 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.332 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -96.53 -94.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 122.356 0.262 . . . . 0.0 110.685 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 57.22 18.64 4.34 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 122.969 0.507 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.16 152.57 42.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.15 0.18 . . . . 0.0 110.587 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 36.4 mtm180 -98.57 127.04 44.35 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 -171.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.678 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.3 m-85 -104.3 170.06 8.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.761 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -120.46 -5.41 9.82 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.294 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 45.5 mttm -138.02 147.53 44.25 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.032 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.4 tt -75.06 -48.49 23.69 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.682 -175.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 p -68.05 -36.01 79.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.049 0.452 . . . . 0.0 111.805 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.91 -43.64 87.53 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.49 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -63.55 -32.31 73.73 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.641 170.29 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.7 -38.66 91.94 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.003 -0.435 . . . . 0.0 110.645 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.63 -42.2 95.64 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.14 -39.94 80.05 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.834 0.349 . . . . 0.0 110.427 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 m -59.31 -26.78 65.28 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.055 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.44 68.8 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.341 0.115 . . . . 0.0 110.747 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -56.41 -40.71 75.13 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.682 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.63 -4.72 57.67 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.63 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.86 -19.97 31.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.346 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 9.38 55.31 Favored Glycine 0 CA--C 1.542 1.723 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.14 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.58 60.28 0.68 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.042 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -111.73 108.86 55.79 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.057 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.02 91.61 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.508 2.139 . . . . 0.0 112.678 -172.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.701 ' HB3' HD22 ' A' ' 54' ' ' LEU . 79.6 m-85 -88.26 169.0 12.24 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 172.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -132.68 154.51 50.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 19.6 t -68.71 135.07 50.74 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.921 0.391 . . . . 0.0 110.801 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.12 -7.1 47.14 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.81 -19.76 65.81 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.645 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 68.19 -67.87 0.18 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.493 0.717 . . . . 0.0 111.682 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -69.48 -15.95 63.36 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.513 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -71.12 -32.03 68.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 173.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.61 37.0 27.35 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.0 111.493 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -95.07 149.9 20.77 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.245 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -130.0 155.23 46.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.353 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 72.4 m-85 -136.3 164.84 27.16 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -173.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -103.14 -7.84 20.96 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.489 -175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm-85 -148.82 157.56 43.53 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -43.41 97.57 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.13 -35.22 79.91 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.363 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.514 HE22 ' NH1' ' A' ' 56' ' ' ARG . 45.4 tp60 -69.16 -41.0 77.83 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.759 0.314 . . . . 0.0 110.525 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 37' ' ' TYR . 10.9 tp -63.56 -44.29 94.56 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.661 173.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -60.66 -43.04 98.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.791 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' NH1' HE22 ' A' ' 53' ' ' GLN . 19.6 ttm180 -58.25 -47.43 83.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.628 0.252 . . . . 0.0 110.395 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.71 -41.67 95.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.775 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -53.48 -38.22 63.44 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.27 63.26 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 122.218 -0.301 . . . . 0.0 110.933 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.14 -36.2 76.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.191 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -85.81 -31.75 22.14 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.564 0.221 . . . . 0.0 111.235 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -97.23 -11.88 23.65 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.91 8.06 57.04 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 121.621 -0.323 . . . . 0.0 112.705 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.41 136.54 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.055 0.455 . . . . 0.0 110.961 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -132.59 90.76 32.23 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.12 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 94.9 Cg_endo -85.53 -12.89 6.3 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.593 2.195 . . . . 0.0 112.883 -173.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.658 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 m-85 -95.25 123.89 39.0 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.06 140.0 53.39 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.603 0.239 . . . . 0.0 110.798 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.68 148.22 51.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.052 0.453 . . . . 0.0 110.609 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 10.51 37.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.195 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -58.84 1.26 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.839 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.8 p -105.37 0.48 26.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.154 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.07 22.47 11.68 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.734 0.414 . . . . 0.0 111.774 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -75.83 133.83 40.53 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.725 0.298 . . . . 0.0 110.543 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -96.62 147.81 23.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.188 0.518 . . . . 0.0 111.479 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -142.54 161.83 37.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.489 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 52.3 m -97.22 -2.04 43.65 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.558 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -137.08 134.71 36.78 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -63.65 -42.77 98.07 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.817 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.45 -42.17 91.37 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -62.79 -44.77 95.3 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.426 -0.171 . . . . 0.0 110.881 173.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -63.27 -45.53 91.06 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.48 0.181 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.51 -35.71 80.24 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.712 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.2 m -67.57 -49.76 61.67 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.437 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.68 -33.09 73.38 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.008 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -53.94 -40.43 66.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.815 0.446 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HD3' ' HB1' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -61.52 -22.63 65.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.657 -175.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 m -54.34 -38.66 66.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.557 0.343 . . . . 0.0 111.213 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -78.23 -22.31 48.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.743 0.306 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -91.71 -6.23 52.34 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 21.23 36.42 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 121.567 -0.349 . . . . 0.0 112.59 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 149.67 43.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -172.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -155.16 78.52 4.73 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.202 171.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.56 -20.26 10.91 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.512 2.141 . . . . 0.0 113.123 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.8 m-85 -83.38 75.97 9.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -175.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 37.7 t -78.9 144.71 34.63 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 175.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.419 ' HA ' HD11 ' A' ' 112' ' ' LEU . 47.7 t -70.05 151.87 45.02 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -118.39 7.04 11.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.964 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -65.5 150.05 96.44 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 120.667 0.27 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.86 24.85 0.29 Allowed 'Trans proline' 0 CA--C 1.552 1.407 0 C-N-CA 122.893 2.395 . . . . 0.0 113.002 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -163.41 21.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.909 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 20.1 t -148.44 173.81 12.71 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.2 13.78 0.05 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.662 175.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 130.82 38.87 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 120.808 0.337 . . . . 0.0 110.678 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 60.0 mtpt -98.35 137.4 37.11 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.111 -172.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -129.13 167.27 17.82 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.974 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.494 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -101.05 -11.84 19.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.405 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -130.83 143.61 50.86 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.129 0.49 . . . . 0.0 110.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.5 p -59.3 -41.42 88.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.56 -33.74 75.64 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -60.69 -42.53 97.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -66.19 -40.34 90.36 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.917 175.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.12 -47.65 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.182 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.2 -46.79 87.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -58.09 -47.84 81.99 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.931 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -56.63 -33.66 66.52 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.901 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -19.52 65.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 120.446 0.165 . . . . 0.0 111.117 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.1 mtt -77.63 -31.22 52.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.598 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.346 0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 110.416 177.058 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . 0.405 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.203 0 C5'-C4'-O4' 105.705 -2.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . 0.405 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 109.455 3.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 C3'-C2'-C1' 97.845 -3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.631 0 O3'-P-O5' 97.702 -3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 C3'-C2'-C1' 98.327 -3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.016 0 O3'-P-O5' 99.475 -2.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.447 0 P-O3'-C3' 124.026 3.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.476 0 P-O3'-C3' 124.109 3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.837 0 O3'-P-O5' 97.475 -3.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.473 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.733 0 C5'-C4'-C3' 108.997 -3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.519 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.484 -3.371 0 O3'-P-O5' 96.724 -3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.519 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.979 0 C5'-C4'-C3' 111.172 -2.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . 0.448 " H1'" " H5'" ' B' ' 137' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.494 -3.425 1 P-O3'-C3' 124.759 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . 0.448 " H5'" " H1'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 P--O5' 1.638 4.468 1 C4'-C3'-C2' 98.345 -4.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O5'-C5'-C4' 114.877 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 1 O4'-C4'-C3' 110.162 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.183 1 P-O3'-C3' 124.66 4.133 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 5.036 0 O4'-C1'-C2' 103.88 -2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 O5'-C5'-C4' 114.893 3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.902 2 P-O3'-C3' 127.434 6.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.559 1 O4'-C4'-C3' 109.889 4.289 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.311 0 C4'-C3'-C2' 99.41 -3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.511 1 O5'-C5'-C4' 116.567 4.548 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.855 0 O4'-C4'-C3' 109.007 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.152 0 P-O3'-C3' 122.966 2.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.404 -2.105 0 C5'-C4'-C3' 109.136 -3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.405 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O3' 1.635 2.367 2 O4'-C4'-C3' 112.015 6.415 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.405 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.986 0 C4'-C3'-C2' 99.553 -3.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O3'-P-O5' 98.616 -2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.389 0 O3'-P-O5' 97.187 -3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C4'-C3' 110.817 5.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.577 1 P-O3'-C3' 124.905 4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.53 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.913 0 C5'-C4'-C3' 110.063 -3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.53 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.061 0 O4'-C4'-C3' 108.831 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.663 0.268 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -54.81 -50.95 67.3 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.917 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -84.47 24.56 0.98 Allowed 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.434 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -110.74 -6.19 14.84 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.51 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -76.43 156.93 83.15 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.557 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.82 147.06 30.5 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.441 2.094 . . . . 0.0 111.896 170.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -139.39 145.24 38.7 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.72 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -136.39 151.26 49.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.016 0.436 . . . . 0.0 111.226 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.2 t -69.72 172.48 7.47 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.012 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -143.45 6.62 1.48 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.375 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -67.27 137.33 93.94 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.21 0.6 3.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.726 2.284 . . . . 0.0 113.586 -169.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.28 3.65 23.68 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.525 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -135.22 -89.27 0.34 Allowed 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.706 0.253 . . . . 0.0 111.195 -172.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.26 38.71 30.79 Favored 'General case' 0 CA--C 1.562 1.428 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.72 158.88 19.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -100.62 127.43 47.02 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.111 0.482 . . . . 0.0 111.304 -172.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.706 ' CD1' HD23 ' A' ' 24' ' ' LEU . 74.7 m-85 -111.87 169.98 8.46 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.216 1.006 . . . . 0.0 110.566 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -123.79 -25.22 4.32 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.498 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 10.2 mptt -109.09 129.08 55.47 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.289 0.235 . . . . 0.0 110.444 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.0 tp -52.68 -50.42 63.32 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 p -68.23 -37.68 81.09 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.17 -29.53 64.1 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.835 0.35 . . . . 0.0 110.187 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.41 -40.99 63.84 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.858 169.389 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.25 -43.38 87.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.7 mmt -59.14 -46.29 88.74 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.81 -42.8 84.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -58.93 -31.21 68.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.236 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.565 ' NH2' ' H41' ' B' ' 135' ' ' ' DC' . 9.4 mmm180 -55.66 -38.32 69.44 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 121.359 -0.136 . . . . 0.0 110.683 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.47 -32.95 65.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -89.51 -20.41 23.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 122.707 0.403 . . . . 0.0 111.757 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 p -64.73 -33.13 75.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.976 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.18 0.8 76.04 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.516 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -87.98 32.78 0.73 Allowed 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -141.96 81.53 14.43 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.737 171.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.0 175.63 9.71 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.903 2.402 . . . . 0.0 113.391 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -132.4 169.89 15.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.442 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -132.85 157.91 43.86 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.775 0.322 . . . . 0.0 110.561 170.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 130.74 41.72 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.29 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -90.19 6.94 40.57 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.679 -171.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 84.0 m-85 -64.87 -22.73 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 122.524 -0.11 . . . . 0.0 111.288 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 69.64 -32.65 0.23 Allowed 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 123.396 0.679 . . . . 0.0 111.297 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 41' ' ' PHE . 38.1 t70 -82.22 -20.32 37.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 169.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 t -79.44 -69.76 0.56 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.617 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 60.26 28.51 18.12 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.745 0.418 . . . . 0.0 111.739 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -95.51 146.26 24.57 Favored 'General case' 0 C--N 1.344 0.359 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -117.71 153.83 32.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.637 -174.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -137.72 164.68 28.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.947 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -100.92 -21.47 15.07 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' NH2' HE21 ' A' ' 53' ' ' GLN . 94.8 mtm-85 -131.3 150.18 52.26 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.996 0.427 . . . . 0.0 110.747 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -58.19 -37.74 75.36 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -67.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.289 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.454 HE21 ' NH2' ' A' ' 50' ' ' ARG . 80.4 mt-30 -65.63 -46.41 79.35 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.697 0.284 . . . . 0.0 110.354 174.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.34 -40.35 96.09 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.794 174.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.63 -42.43 91.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.593 0.357 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' HH11 ' A' ' 78' ' ' ARG . 6.4 mtp180 -56.98 -47.5 80.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.8 t60 -60.94 -36.6 79.78 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.458 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -53.17 -38.12 62.5 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 120.552 0.215 . . . . 0.0 110.817 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -55.27 -33.06 62.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.477 0.18 . . . . 0.0 111.117 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.595 ' NE ' " H3'" ' B' ' 129' ' ' ' DG' . 0.1 OUTLIER -65.52 -31.53 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.59 0.233 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 90.0 m-70 -95.63 -4.42 44.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -134.65 -6.21 2.5 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -169.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.61 1.2 Allowed Glycine 0 CA--C 1.538 1.5 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.9 t 67.84 -67.52 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 123.456 0.702 . . . . 0.0 111.685 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt 46.55 73.8 0.92 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 122.692 0.397 . . . . 0.0 110.736 -170.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.18 -17.92 30.95 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.769 2.313 . . . . 0.0 113.615 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.4 m-85 -83.78 132.7 34.81 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -124.55 139.88 53.47 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 122.365 -0.209 . . . . 0.0 110.9 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.44 148.62 50.15 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.038 0.447 . . . . 0.0 110.298 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -90.09 2.45 55.24 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.604 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.57 -76.76 0.57 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.447 -173.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.7 p -87.3 -2.17 58.43 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 122.477 0.311 . . . . 0.0 111.367 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 62.38 24.42 14.54 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.79 0.436 . . . . 0.0 111.487 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.25 126.96 31.21 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 173.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -89.77 141.82 28.26 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.067 0.461 . . . . 0.0 111.175 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -131.88 161.66 32.49 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.345 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.5 p -99.36 -8.16 25.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.529 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.421 HH11 ' NH1' ' A' ' 56' ' ' ARG . 39.4 mtm180 -138.14 142.89 40.12 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.012 0.435 . . . . 0.0 110.921 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -63.82 -35.91 82.16 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.788 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.27 -40.95 96.0 Favored 'General case' 0 CA--C 1.568 1.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.926 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.472 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 64.4 m170 -65.08 -46.29 81.71 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 122.51 -0.119 . . . . 0.0 110.826 172.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -61.55 -45.78 92.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.518 0.199 . . . . 0.0 110.841 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -65.65 -34.57 78.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.755 0.312 . . . . 0.0 110.675 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -65.5 -49.42 69.08 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.634 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.79 -38.15 84.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.8 m -54.21 -41.2 68.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.806 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -62.34 -23.01 66.54 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.924 -0.125 . . . . 0.0 111.176 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 p -67.78 -37.52 82.16 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.391 0.139 . . . . 0.0 110.926 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -80.21 -23.02 41.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.482 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.77 -5.93 52.68 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.68 22.21 52.53 Favored Glycine 0 CA--C 1.545 1.932 0 C-N-CA 121.62 -0.324 . . . . 0.0 112.343 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.37 97.74 9.65 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.87 0.367 . . . . 0.0 110.77 -173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -122.59 83.78 48.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.518 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -85.88 -25.68 1.42 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.709 2.272 . . . . 0.0 113.048 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -73.4 82.3 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.879 0.371 . . . . 0.0 110.779 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -87.46 139.76 30.22 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.19 134.67 48.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -103.2 10.33 37.8 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.124 -174.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -64.84 151.03 93.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 120.782 0.325 . . . . 0.0 110.69 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.28 9.44 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 122.857 2.371 . . . . 0.0 113.151 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -145.25 18.85 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 122.212 0.205 . . . . 0.0 111.19 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -147.1 157.15 43.51 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -148.49 23.21 1.02 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.076 170.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.8 mtmm -67.48 143.89 55.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -176.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -119.18 140.17 50.61 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.003 0.43 . . . . 0.0 111.453 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.49 162.67 23.48 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.533 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.85 0.28 43.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.242 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -135.96 142.83 44.61 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.246 0.546 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.676 ' O ' HG13 ' A' ' 113' ' ' VAL . 28.6 p -61.23 -43.69 98.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.954 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -67.44 -33.51 75.3 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 122.171 0.189 . . . . 0.0 111.43 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.6 -41.21 94.31 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.022 -0.424 . . . . 0.0 109.936 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.38 -44.15 75.8 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.08 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 109' ' ' SER . 15.7 m -58.25 -43.2 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 120.86 0.362 . . . . 0.0 110.207 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.72 -47.06 85.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 71.7 t60 -55.07 -48.74 73.09 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.76 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -57.23 -39.76 76.19 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.855 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -15.73 63.54 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.143 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 57.3 mtt -111.31 5.34 19.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.443 0.297 . . . . 0.0 110.993 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 110.904 -173.314 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.533 0 C5'-C4'-C3' 109.916 -3.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.354 1 O4'-C4'-C3' 110.017 4.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.43 0 O4'-C1'-C2' 101.883 -3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.571 1 P-O3'-C3' 124.816 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.472 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.882 0 C5'-C4'-O4' 113.468 2.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.595 " H3'" ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C4'--C3' 1.492 -3.564 1 O3'-P-O5' 94.863 -4.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.226 0 O4'-C4'-C3' 108.561 2.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.679 0 O4'-C1'-C2' 102.553 -3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.807 0 O4'-C4'-C3' 109.383 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.402 H2'' " O5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.987 0 O4'-C1'-C2' 103.498 -2.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.456 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C2'--C1' 1.595 5.285 3 O4'-C4'-C3' 113.587 7.987 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.593 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.612 12.668 1 C5'-C4'-O4' 117.057 4.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . 0.593 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.566 3.809 1 C4'-C3'-C2' 98.457 -4.743 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.649 4 O3'-P-O5' 90.966 -6.86 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C4'-C3' 108.856 3.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.464 0 O4'-C4'-C3' 109.564 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 P-O3'-C3' 124.154 3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.859 0 O4'-C4'-C3' 107.71 2.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 2 P-O3'-C3' 125.013 4.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 0 P-O3'-C3' 124.425 3.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.663 0 O5'-C5'-C4' 115.696 3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . 0.426 ' N6 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O3'-P-O5' 95.971 -4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.688 2 O5'-C5'-C4' 118.731 6.094 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.464 0 O4'-C4'-C3' 108.326 2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.146 1 O4'-C4'-C3' 110.529 4.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.724 0 C5'-C4'-C3' 109.486 -3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.647 3.3 0 C5'-C4'-O4' 103.225 -3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.749 0 O3'-P-O5' 99.019 -2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.84 0 P-O3'-C3' 122.614 2.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.04 0 C5'-C4'-C3' 109.73 -3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 O4'-C4'-C3' 109.51 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.224 0 O4'-C4'-C3' 108.209 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.519 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.832 1 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.519 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.493 0 C3'-C2'-C1' 98.505 -2.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 120.664 0.269 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -64.01 -14.33 53.39 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.467 0.307 . . . . 0.0 111.348 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -62.33 -17.74 59.59 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.576 0.35 . . . . 0.0 111.295 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -69.87 -13.08 62.09 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.315 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 73.04 154.19 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 C-N-CA 123.467 0.707 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -82.0 169.99 14.18 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.746 2.297 . . . . 0.0 112.254 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -144.58 150.37 37.37 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ptm -136.45 156.3 48.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 169.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -67.45 153.51 43.53 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.691 173.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.65 -10.08 14.51 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.785 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -68.18 122.35 83.76 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.83 71.31 2.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 123.006 2.471 . . . . 0.0 112.529 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.45 -22.91 0.08 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.4 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 t -104.19 -74.56 0.64 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.682 0.393 . . . . 0.0 110.092 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 48.67 41.78 18.31 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.413 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -82.49 157.73 23.48 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.608 175.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.72 127.29 44.6 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.135 0.493 . . . . 0.0 111.317 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -111.65 170.04 8.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 123.991 0.916 . . . . 0.0 110.465 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.55 -26.25 4.59 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.583 -175.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 30.0 mtmm -109.04 123.23 48.82 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.731 0.301 . . . . 0.0 110.33 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -49.02 62.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.129 -176.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 m -68.3 -36.67 79.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.08 -29.39 65.23 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.746 0.308 . . . . 0.0 110.283 -179.284 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.16 -43.6 61.26 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.962 169.76 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -58.3 -38.75 77.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.383 -0.198 . . . . 0.0 110.658 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.61 94.11 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.699 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -57.89 -41.93 83.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.78 65.88 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.581 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -55.52 -38.34 69.1 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.47 -36.6 69.27 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.708 0.29 . . . . 0.0 110.896 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -89.9 -16.89 29.07 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 122.999 0.519 . . . . 0.0 112.037 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -18.39 63.46 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.39 -169.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.92 40.17 1.79 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -118.21 52.12 1.03 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.907 0.384 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.51 119.95 38.87 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.998 173.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.79 93.65 1.06 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.477 2.118 . . . . 0.0 112.502 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.632 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 -94.35 149.11 21.55 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.893 170.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -132.69 147.9 52.34 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.519 0.199 . . . . 0.0 110.624 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.81 156.94 31.74 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.404 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -134.25 23.22 3.79 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CE2' ' CE1' ' A' ' 61' ' ' HIS . 94.9 m-85 -70.76 164.24 25.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.088 0.47 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -81.95 -0.32 43.39 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.89 2.86 4.87 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 t -153.09 143.02 22.19 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 120.972 0.415 . . . . 0.0 111.317 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -146.11 39.03 1.09 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.399 169.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -77.35 152.75 34.31 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 148.31 27.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.742 -176.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.8 m-85 -138.5 164.77 28.55 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.001 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -109.06 -20.43 13.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.491 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.65 146.47 44.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.05 0.452 . . . . 0.0 110.575 173.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.5 t -60.64 -36.84 79.66 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.413 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.51 -36.66 83.26 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.351 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.53 -50.84 71.06 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.1 tp -60.62 -44.25 96.56 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -47.16 84.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.288 0.235 . . . . 0.0 110.931 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.04 -47.46 80.87 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.77 -36.75 79.75 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.601 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.09 -38.26 62.41 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.703 0.287 . . . . 0.0 110.454 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -55.13 -32.99 62.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.087 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -55.76 -33.14 64.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.52 0.328 . . . . 0.0 111.49 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -104.83 -32.05 9.0 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.634 0.255 . . . . 0.0 111.251 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.2 p -86.52 -5.26 59.19 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -173.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.8 7.94 45.04 Favored Glycine 0 CA--C 1.544 1.853 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.793 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG12 ' HD3' ' A' ' 66' ' ' PRO . 46.2 t -70.02 106.02 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.906 -175.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -117.03 83.84 15.51 Favored Pre-proline 0 N--CA 1.475 0.809 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.12 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 64' ' ' VAL . 86.3 Cg_endo -82.88 -14.6 8.68 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.619 2.213 . . . . 0.0 113.12 -171.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 82' ' ' LEU . 69.8 m-85 -89.06 130.21 35.56 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -124.14 141.27 52.2 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.46 148.36 50.73 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.021 0.438 . . . . 0.0 110.418 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 6.56 47.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.866 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.62 -64.28 1.12 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.744 -172.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.6 p -96.61 -6.39 36.87 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.352 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 19.68 10.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.894 0.478 . . . . 0.0 111.438 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -74.66 130.33 39.32 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.845 0.355 . . . . 0.0 110.472 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -92.65 144.56 25.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 111.183 -177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -134.84 159.86 40.04 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 23.9 p -98.33 0.02 44.71 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.529 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -135.24 134.09 39.66 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 p -64.0 -39.82 94.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.665 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -64.74 -42.04 95.47 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.4 m-70 -63.82 -42.21 97.69 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 122.435 -0.166 . . . . 0.0 110.853 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.769 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.2 tt -64.32 -46.7 82.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.412 0.149 . . . . 0.0 110.705 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.42 -34.27 76.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.724 0.297 . . . . 0.0 110.561 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.7 m -66.95 -49.61 64.92 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -54.12 -40.76 67.62 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.92 -27.49 68.86 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.062 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.6 m -62.63 -35.96 81.28 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.395 0.14 . . . . 0.0 111.017 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -86.27 -25.1 25.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.671 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 m -91.68 -6.01 52.78 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.54 15.57 47.15 Favored Glycine 0 CA--C 1.546 2.016 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.365 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.57 90.67 3.92 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.015 0.436 . . . . 0.0 110.808 -174.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -117.77 83.7 18.69 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.474 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -84.48 -17.74 5.15 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.645 2.23 . . . . 0.0 113.051 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.855 0.36 . . . . 0.0 110.99 -175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 m -80.25 140.91 36.01 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.994 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.7 t -70.2 139.3 52.29 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 8.64 33.53 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.58 152.36 86.04 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 120.726 0.298 . . . . 0.0 110.764 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.65 4.64 2.91 Favored 'Trans proline' 0 CA--C 1.547 1.172 0 C-N-CA 122.819 2.346 . . . . 0.0 113.105 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -143.11 25.39 1.75 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -153.19 157.4 40.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 111.195 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -148.38 22.55 1.05 Allowed 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.065 169.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.2 mtmm -65.42 135.76 55.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.479 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 16.6 ptmt -111.79 136.24 51.33 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 111.549 -169.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -119.92 164.9 15.36 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.527 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.07 0.11 34.38 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.175 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -133.84 139.94 46.57 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 110.744 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -59.39 -43.68 92.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.885 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.48 -33.69 75.64 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.523 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -60.76 -42.77 98.13 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.62 -41.84 92.26 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.964 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.5 t -58.11 -47.63 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.28 -46.74 87.71 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.549 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.442 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 61.3 t60 -54.9 -50.12 69.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.711 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.06 -38.62 73.52 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.882 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -15.68 63.56 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.083 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.7 mtt -114.56 9.77 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.934 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.345 0.373 0 CA-C-O 120.772 0.32 . . . . 0.0 110.978 -174.325 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 C5'-C4'-C3' 110.055 -3.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 P-O3'-C3' 122.755 2.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.695 3 C4'-C3'-C2' 98.236 -4.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C4'-C3' 109.536 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.506 0 C3'-C2'-C1' 99.462 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.63 3.656 0 O4'-C4'-C3' 108.922 3.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.963 4 O3'-P-O5' 92.831 -5.879 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.02 1 O3'-P-O5' 96.125 -4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 0 O4'-C4'-C3' 109.229 3.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 5.008 0 O4'-C4'-C3' 109.064 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.439 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 P--O5' 1.648 5.521 1 C5'-C4'-C3' 108.112 -4.392 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.439 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.148 0 O4'-C1'-C2' 102.743 -3.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.04 1 O3'-P-O5' 95.437 -4.507 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.204 1 O3'-P-O5' 95.512 -4.468 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.567 0 P-O3'-C3' 124.403 3.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O3'-P-O5' 94.967 -4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.796 1 P-O3'-C3' 125.125 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.191 0 O4'-C4'-C3' 109.367 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 P-O3'-C3' 124.196 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O3'-P-O5' 96.463 -3.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.542 2.422 2 O4'-C4'-C3' 110.277 4.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.606 1 O4'-C4'-C3' 110.539 4.939 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.784 0 O5'-C5'-C4' 115.779 3.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 P-O3'-C3' 124.213 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.514 2 C4'-C3'-C2' 98.615 -4.585 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.823 1 O4'-C4'-C3' 111.191 5.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.487 1 O4'-C4'-C3' 110.802 5.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.605 1 C5'-C4'-C3' 107.725 -4.65 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.59 0 O4'-C1'-C2' 103.16 -2.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.903 2 O4'-C4'-C3' 111.005 5.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.459 0 P-O3'-C3' 123.464 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.734 0 P-O3'-C3' 123.684 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.517 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O5' 1.617 2.406 0 O4'-C4'-C3' 109.0 3.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.517 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.442 0 C3'-C2'-C1' 98.433 -3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -159.53 8.41 0.11 Allowed 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.614 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.29 -51.0 14.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.734 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -79.12 68.16 5.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.85 83.72 18.59 Favored Pre-proline 0 CA--C 1.55 0.972 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.83 -13.98 19.56 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.749 2.299 . . . . 0.0 112.961 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -99.48 142.95 30.29 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.8 ptm -136.44 151.44 49.5 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.068 0.461 . . . . 0.0 111.359 169.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.8 t -71.88 167.07 20.81 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.324 169.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.59 -1.4 7.42 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.309 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 34' ' ' GLU . 47.0 t80 -68.66 123.9 88.87 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -52.51 -28.02 34.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.888 2.392 . . . . 0.0 113.667 -173.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -0.32 86.41 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.54 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 22.7 t -130.33 -85.74 0.52 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 122.562 0.345 . . . . 0.0 110.658 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 23.85 14.11 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 122.727 0.411 . . . . 0.0 111.431 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HE3' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -81.69 167.25 19.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.722 0.296 . . . . 0.0 110.986 -176.624 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.43 133.77 52.67 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.163 0.506 . . . . 0.0 111.393 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.725 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.5 m-85 -118.81 168.28 10.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.978 0.911 . . . . 0.0 110.851 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -114.58 -52.65 2.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -77.22 118.41 19.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -48.04 -49.81 30.05 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.803 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.7 p -67.94 -35.6 78.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -35.08 74.91 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.923 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.725 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -72.99 -36.77 67.11 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 172.289 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -48.55 80.9 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.11 -0.369 . . . . 0.0 110.058 174.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.18 -47.13 82.01 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -57.79 -41.55 82.32 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.523 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -59.45 -36.67 76.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -56.37 -37.95 70.76 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.638 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.3 -33.72 65.82 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.665 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.23 -21.36 50.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.363 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.2 p -56.68 -13.65 2.63 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.71 2.97 80.98 Favored Glycine 0 CA--C 1.552 2.368 0 C-N-CA 121.514 -0.374 . . . . 0.0 112.807 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.4 pp20? -77.65 -16.31 58.62 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 116.866 0.333 . . . . 0.0 111.589 -175.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -82.86 120.12 75.67 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.22 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.99 100.45 0.52 Allowed 'Trans proline' 0 CA--C 1.55 1.32 0 C-N-CA 122.903 2.402 . . . . 0.0 112.393 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.452 ' HB3' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -92.39 161.07 14.81 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.293 173.399 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -132.71 154.18 50.42 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.71 0.29 . . . . 0.0 110.955 170.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.23 145.96 53.8 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.676 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.57 -21.1 30.56 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.11 113.46 3.96 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.403 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -67.33 -15.68 63.83 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.822 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -90.87 2.61 56.01 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 120.572 0.225 . . . . 0.0 110.928 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.6 t -114.01 -78.96 0.58 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.813 0.445 . . . . 0.0 110.073 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 69.16 21.32 7.26 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.243 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -80.76 168.21 19.08 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.794 0.331 . . . . 0.0 110.417 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -121.59 153.9 37.46 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.6 m-85 -135.94 164.6 27.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.183 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -105.95 0.4 25.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.608 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -148.48 153.81 38.97 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.885 0.374 . . . . 0.0 111.007 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -61.64 -44.59 96.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.861 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' ' H62' ' C' ' 147' ' ' ' DA' . 1.4 p-10 -62.71 -33.98 76.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.185 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' CD ' ' H41' ' B' ' 132' ' ' ' DC' . 86.1 mm-40 -72.52 -43.11 64.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.558 0.218 . . . . 0.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.5 tp -59.95 -43.38 95.06 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 171.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.83 -44.99 94.68 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.176 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.15 -45.3 93.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.665 0.269 . . . . 0.0 110.326 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 t60 -60.74 -38.72 86.11 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.18 -35.29 59.66 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.732 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -54.78 -33.28 61.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.746 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -55.65 -47.64 76.31 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.087 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -71.1 -31.53 67.91 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.974 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -71.02 -21.85 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.247 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 -5.27 8.61 Favored Glycine 0 CA--C 1.554 2.491 0 C-N-CA 121.686 -0.292 . . . . 0.0 113.032 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.0 t -76.19 137.2 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -175.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -119.42 85.38 31.39 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.201 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.9 -21.12 7.12 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.639 2.226 . . . . 0.0 113.211 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -77.88 83.07 4.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 120.847 0.356 . . . . 0.0 110.667 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -90.71 131.32 36.46 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.761 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.1 t -64.67 126.64 28.55 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.302 0.572 . . . . 0.0 111.354 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -7.55 7.3 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.662 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -65.81 1.02 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.302 0.241 . . . . 0.0 110.805 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 21.1 p -109.93 1.29 19.02 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 120.658 0.266 . . . . 0.0 111.574 -173.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 66.37 14.4 9.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.259 0.624 . . . . 0.0 111.78 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -56.09 118.14 4.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 169.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 140.42 29.53 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.031 0.443 . . . . 0.0 111.006 -175.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -134.08 163.99 28.34 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.287 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 p -99.57 -9.26 23.45 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.35 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -137.0 148.39 46.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.042 0.448 . . . . 0.0 111.162 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 p -69.65 -40.34 76.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.04 -34.91 78.58 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-O 120.545 0.212 . . . . 0.0 110.988 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.463 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.5 m-70 -66.67 -46.57 75.23 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 172.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.75 -47.56 83.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.624 0.25 . . . . 0.0 110.979 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -62.31 -34.39 76.52 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.507 0.323 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 m -68.6 -49.58 58.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.597 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -62.51 -30.83 71.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.5 m -54.15 -40.23 67.23 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -61.61 -22.82 65.57 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.861 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.42 -39.35 67.24 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.014 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -19.9 20.0 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 120.519 0.2 . . . . 0.0 111.061 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -91.66 -6.25 52.45 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.6 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.88 9.63 41.07 Favored Glycine 0 CA--C 1.545 1.911 0 C-N-CA 121.299 -0.476 . . . . 0.0 112.861 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -80.79 99.3 8.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.871 0.367 . . . . 0.0 110.99 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.46 84.87 36.57 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.73 -24.78 2.15 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.557 2.171 . . . . 0.0 112.909 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -75.93 80.58 2.81 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -85.46 139.69 31.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.42 161.07 31.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 5.98 10.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.165 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -70.89 158.48 87.99 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.19 110.12 0.33 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.188 2.592 . . . . 0.0 113.194 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.0 t 59.97 20.31 9.37 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.047 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' CE ' ' A' ' 104' ' ' LYS . 32.0 t -80.29 -84.72 0.09 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.579 0.228 . . . . 0.0 110.643 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.55 18.73 11.35 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.944 0.498 . . . . 0.0 111.48 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' CE ' ' SG ' ' A' ' 102' ' ' CYS . 46.4 mtmt -65.63 134.17 52.71 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -109.36 144.93 36.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.046 0.451 . . . . 0.0 111.742 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -128.34 162.75 26.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.58 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.04 -1.62 39.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -134.19 140.59 46.61 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 p -57.31 -45.52 84.13 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.755 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -67.17 -33.7 75.96 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.442 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.68 -41.56 95.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.13 -43.37 87.3 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.957 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.06 -41.52 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.321 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.63 -46.89 80.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -54.42 -49.22 70.47 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.66 -41.02 76.52 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -71.0 -15.59 62.58 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.231 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.6 mtt -107.32 3.43 25.38 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.008 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 111.052 -172.725 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 0 O4'-C4'-C3' 107.941 2.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C4'-C3' 108.302 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.573 0 C3'-C2'-C1' 97.957 -3.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 P-O3'-C3' 123.417 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . 0.41 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.406 -3.675 0 C3'-C2'-C1' 98.272 -3.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.463 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.366 2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C4'-C3' 109.999 4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.399 -2.546 0 O4'-C1'-C2' 103.208 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . 0.457 ' H41' ' CD ' ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O3' 1.653 3.796 4 C4'-C3'-C2' 96.495 -6.705 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.375 -4.045 1 O3'-P-O5' 95.369 -4.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.419 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 P--O5' 1.661 6.785 2 C5'-C4'-C3' 105.247 -6.302 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.419 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.554 5.383 3 O4'-C4'-C3' 111.223 5.623 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.58 6.154 2 P-O3'-C3' 126.566 5.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.403 1 P-O3'-C3' 125.323 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.794 0 O3'-P-O5' 98.668 -2.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O3'-P-O5' 97.121 -3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 1 P-O3'-C3' 125.236 4.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.814 0 O5'-C5'-C4' 113.304 2.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 4 O4'-C4'-C3' 110.5 4.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 P-O3'-C3' 123.11 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 C5'-C4'-O4' 115.114 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.468 0 O4'-C4'-C3' 109.558 3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.718 1 O5'-C5'-C4' 119.873 6.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . 0.449 ' H62' ' CG ' ' A' ' 52' ' ' ASP . . . . . . . . 1 P--O5' 1.641 4.79 1 O4'-C4'-C3' 110.028 4.428 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 O4'-C1'-C2' 101.968 -3.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.264 1 O3'-P-O5' 96.102 -4.157 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 109.158 -3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 C4'-C3'-C2' 100.03 -3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C4'-C3' 107.466 1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C4'-C3' 108.752 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.37 0 O4'-C4'-C3' 109.338 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O3'-P-O5' 99.654 -2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.538 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C4'-C3' 109.312 3.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.538 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.012 0 C3'-C2'-C1' 97.602 -3.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.947 0 CA-C-O 120.562 0.22 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -77.67 75.51 4.21 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 120.792 0.33 . . . . 0.0 110.698 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.34 160.95 42.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -73.04 158.63 35.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.737 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 145.01 82.93 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.335 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.79 145.75 29.19 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.493 2.129 . . . . 0.0 112.29 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.99 152.89 36.87 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.586 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -136.66 154.38 50.65 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.982 0.42 . . . . 0.0 111.586 169.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 46.4 t -77.68 -178.4 5.32 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.243 169.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -132.41 -16.39 2.72 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.32 133.07 95.53 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-O 120.445 0.164 . . . . 0.0 110.686 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.54 -33.39 57.81 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.703 2.269 . . . . 0.0 113.184 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.82 7.86 64.65 Favored Glycine 0 CA--C 1.547 2.033 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.742 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -147.56 -89.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.393 0.277 . . . . 0.0 110.717 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.74 39.51 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -175.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 172.02 7.96 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.862 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -101.98 137.45 40.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 111.87 -170.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.71 ' CD1' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -119.07 168.33 10.93 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.702 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -123.71 -30.77 3.54 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.725 -174.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 6.3 mptp? -100.69 118.48 36.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.793 0.33 . . . . 0.0 110.347 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -46.87 -52.7 13.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 p -68.11 -35.83 78.77 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.521 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.71 -36.09 79.98 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -70.59 -44.07 68.09 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.057 171.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.23 -41.5 84.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.344 -0.222 . . . . 0.0 110.779 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.46 82.71 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.703 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.9 -39.23 77.4 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.562 0.22 . . . . 0.0 110.48 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -59.09 -35.0 72.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.946 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -38.6 70.28 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.39 -34.08 66.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.247 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -84.05 -28.83 27.35 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p -53.42 -24.43 12.54 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.563 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.03 8.74 73.09 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.68 -0.295 . . . . 0.0 112.61 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -125.1 28.18 6.46 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.791 0.436 . . . . 0.0 110.841 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -83.82 112.32 39.34 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.383 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.08 105.84 1.91 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.48 2.12 . . . . 0.0 112.472 -173.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.731 ' HB3' HD22 ' A' ' 54' ' ' LEU . 68.3 m-85 -117.94 162.59 17.88 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 174.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -132.64 156.74 46.38 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.95 132.47 42.23 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -69.45 -21.77 63.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -71.77 109.33 5.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.876 0.37 . . . . 0.0 110.303 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.3 -19.24 44.66 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.873 -173.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.36 1.33 49.25 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.316 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.01 -64.77 1.01 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.622 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 66.41 29.91 9.04 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 122.789 0.436 . . . . 0.0 111.82 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.8 170.75 15.9 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 169.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -130.88 151.35 51.41 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.3 m-85 -140.39 164.64 29.58 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.178 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 p -113.24 7.06 17.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.593 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -156.2 153.2 28.83 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 111.064 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 m -56.23 -44.48 79.64 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.616 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.98 -38.26 90.41 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.313 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -61.43 -49.77 75.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.672 0.272 . . . . 0.0 110.272 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.6 tp -61.46 -46.38 90.31 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.85 -42.29 98.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.083 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.68 -46.13 91.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.63 -39.91 90.01 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.128 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -53.32 -37.31 62.16 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.215 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -55.22 -33.21 62.89 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 122.511 -0.118 . . . . 0.0 111.047 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -60.38 -34.09 73.4 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.157 0.183 . . . . 0.0 111.36 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -90.55 -41.54 11.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.725 0.298 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -77.88 -16.37 58.31 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.355 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.44 7.01 67.27 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 121.661 -0.304 . . . . 0.0 113.041 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.83 137.33 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.03 0.443 . . . . 0.0 111.011 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.44 77.92 75.14 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.103 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.3 -14.96 22.83 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.668 2.246 . . . . 0.0 113.133 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.651 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.0 m-85 -89.61 126.84 35.78 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -124.33 132.69 53.56 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t -64.78 124.14 21.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.524 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -11.74 19.31 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.62 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.99 -74.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.335 0.254 . . . . 0.0 110.829 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.72 1.03 56.65 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 64.91 17.35 11.0 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.638 0.375 . . . . 0.0 111.435 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -66.45 122.27 17.17 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-O 120.811 0.339 . . . . 0.0 110.279 175.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -89.4 146.07 24.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.306 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -141.5 161.83 36.96 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.423 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -101.93 -3.41 27.88 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.667 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.467 HH21 ' CE1' ' A' ' 81' ' ' HIS . 12.3 mtp180 -134.34 130.35 36.83 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 -176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.4 t -58.07 -39.39 78.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.74 -34.99 79.46 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.538 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.467 ' CE1' HH21 ' A' ' 78' ' ' ARG . 3.5 m-70 -75.86 -34.77 60.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.9 -0.136 . . . . 0.0 110.86 176.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -67.29 -46.9 72.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.622 0.249 . . . . 0.0 110.616 174.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -61.91 -34.38 75.95 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.723 0.297 . . . . 0.0 110.613 176.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 -49.5 56.81 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -61.97 -32.4 72.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.0 m -54.14 -41.1 68.05 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -62.01 -23.23 66.3 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.475 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -67.39 -29.35 68.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.893 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -92.99 -23.49 18.67 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.682 0.277 . . . . 0.0 110.751 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 m -91.85 -6.07 52.24 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.382 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.7 16.08 49.91 Favored Glycine 0 CA--C 1.546 2.002 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.483 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 95.51 5.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.719 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -121.5 79.34 37.73 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.471 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.38 -17.97 6.16 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.629 2.22 . . . . 0.0 113.034 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.75 77.44 9.5 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.0 p -78.81 143.85 35.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.0 t -70.48 161.27 30.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.142 0.496 . . . . 0.0 111.098 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -123.48 7.16 8.95 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.863 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.22 158.66 83.68 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 120.816 0.341 . . . . 0.0 111.009 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.95 113.54 1.13 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.831 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t 61.13 27.96 17.69 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.822 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 36.9 t -79.96 171.19 15.43 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-O 121.131 0.491 . . . . 0.0 110.746 172.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.451 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -161.74 24.4 0.12 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.665 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.78 140.73 30.15 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 120.692 0.282 . . . . 0.0 110.535 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -128.51 146.49 50.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.925 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -129.39 162.9 26.98 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.82 34.04 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.103 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -134.18 142.25 47.36 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.661 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.7 p -57.83 -45.12 86.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.674 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.32 -33.65 75.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.699 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.81 -38.36 85.12 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 97' ' ' CYS . 58.2 tp -67.53 -43.25 81.23 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.803 174.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.02 -41.64 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.161 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.09 85.18 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.419 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.53 -49.09 73.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.804 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.62 -39.6 73.91 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.946 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -72.4 -15.56 61.84 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 120.494 0.187 . . . . 0.0 111.208 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.3 mtp -103.94 -1.76 27.15 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.965 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.346 0.418 0 CA-C-O 120.681 0.277 . . . . 0.0 111.107 -171.48 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.025 0 C5'-C4'-O4' 104.111 -3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.861 0 O4'-C4'-C3' 108.049 2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.488 0 C3'-C2'-C1' 97.652 -3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.144 3 O4'-C4'-C3' 111.715 6.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.682 0 C3'-C2'-C1' 97.196 -3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.274 0 O4'-C1'-C2' 103.175 -2.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.646 5.255 1 P-O3'-C3' 124.774 4.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.61 0 P-O3'-C3' 123.194 2.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C4'-C3' 109.695 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.419 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.901 0 C5'-C4'-O4' 104.264 -3.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.479 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 O4'--C4' 1.383 -5.727 4 O4'-C4'-C3' 113.326 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.479 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.545 -4.766 2 C4'-C3'-C2' 98.272 -4.928 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . 0.429 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C2'--C1' 1.586 4.658 0 P-O3'-C3' 123.891 3.492 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.673 5.461 0 O4'-C4'-C3' 109.21 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.388 1 C5'-C4'-C3' 108.598 -4.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O3'-P-O5' 96.404 -3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.271 0 P-O3'-C3' 122.843 2.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 O4'-C4'-C3' 108.122 2.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 0 P-O3'-C3' 123.868 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 P-O3'-C3' 123.549 3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.711 1 P-O3'-C3' 125.317 4.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.964 1 O4'-C1'-C2' 100.692 -4.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.455 2 P-O3'-C3' 127.854 6.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 C5'-C4'-O4' 103.243 -3.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.933 0 C5'-C4'-C3' 110.166 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.152 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.647 3.294 2 O4'-C4'-C3' 110.998 5.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C4'-C3' 108.212 2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.149 0 P-O3'-C3' 124.303 3.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.158 1 O4'-C4'-C3' 111.155 5.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.274 1 C5'-C4'-C3' 108.625 -4.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 0 P-O3'-C3' 124.249 3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.561 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 1 P--O5' 1.634 4.068 0 O4'-C4'-C3' 109.181 3.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.561 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 P-O3'-C3' 122.999 2.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -73.18 -10.15 59.47 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.099 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.75 179.36 6.74 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.85 0.46 . . . . 0.0 110.397 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 72.62 -49.08 0.69 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.234 0.614 . . . . 0.0 111.607 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.451 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 47.4 mtm180 -71.72 -46.0 12.49 Favored Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 122.244 0.218 . . . . 0.0 111.43 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.451 ' HD3' ' HB2' ' A' ' 5' ' ' ARG . 13.1 Cg_exo -68.73 171.47 13.25 Favored 'Trans proline' 0 C--N 1.37 1.71 0 C-N-CA 122.198 1.932 . . . . 0.0 112.074 176.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -77.62 94.58 4.4 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 172.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.4 ptm -103.67 144.21 31.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.197 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 t -80.19 141.99 35.12 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.007 171.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.74 11.46 2.69 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -63.71 119.47 54.63 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -48.31 106.86 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.711 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.68 -39.12 1.98 Allowed Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -170.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.76 173.71 6.22 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.068 0.547 . . . . 0.0 110.719 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.71 117.67 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.292 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -154.1 173.7 15.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.347 0.118 . . . . 0.0 110.898 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -136.59 133.76 36.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.698 ' CD1' HD23 ' A' ' 24' ' ' LEU . 93.1 m-85 -130.27 163.53 26.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.591 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -120.02 -44.35 2.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 1.8 tptm -77.06 112.64 13.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.564 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 21' ' ' LEU . 5.4 tt -43.91 -49.67 8.33 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.85 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 p -68.05 -35.5 78.34 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -72.44 -34.67 67.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.989 -178.789 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.14 -38.19 66.36 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.618 170.618 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.23 87.16 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.6 tpt -63.02 -47.61 82.35 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.07 -41.27 83.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.624 0.25 . . . . 0.0 110.646 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 m -59.24 -28.17 66.46 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -55.35 -38.34 68.65 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.81 -177.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.5 -34.01 68.63 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.619 0.247 . . . . 0.0 110.963 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -89.84 -2.73 58.28 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.903 0.481 . . . . 0.0 112.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -75.96 -36.56 59.26 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.271 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.0 48.87 4.03 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -106.42 -18.61 13.93 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 122.4 0.28 . . . . 0.0 111.087 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -55.81 113.78 6.29 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.215 -171.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 109.65 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.787 2.325 . . . . 0.0 112.681 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.648 ' HB3' HD22 ' A' ' 54' ' ' LEU . 15.3 m-85 -120.01 103.79 9.6 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 157.16 16.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.916 0.388 . . . . 0.0 110.755 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.02 156.19 39.49 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.591 171.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -141.0 51.56 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.854 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 61' ' ' HIS . 74.7 m-85 -100.19 -3.94 30.57 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.343 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.99 -53.82 0.67 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 122.967 0.507 . . . . 0.0 110.51 -170.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.87 -15.44 61.6 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.943 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -138.62 137.47 36.95 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.052 0.454 . . . . 0.0 111.094 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -143.79 47.42 1.45 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.623 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -71.14 177.28 3.88 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.228 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.17 147.26 51.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.079 177.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.17 164.78 29.15 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.584 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -105.37 -12.23 16.12 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.615 0.245 . . . . 0.0 111.49 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.25 143.86 49.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 110.59 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -58.54 -37.97 76.8 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.55 -42.71 97.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.066 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.78 -50.98 70.17 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.436 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 37' ' ' TYR . 44.9 tp -62.76 -46.64 87.1 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.933 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.02 -41.07 97.57 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.376 0.27 . . . . 0.0 111.124 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -63.46 -47.13 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.56 -36.49 78.61 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.105 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' HA ' ' HD1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -52.88 -38.18 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.395 0.278 . . . . 0.0 110.777 178.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -55.45 -32.9 63.14 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.719 -0.218 . . . . 0.0 111.488 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -55.69 -34.61 65.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.047 0.139 . . . . 0.0 111.29 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' HD1' ' HA ' ' A' ' 58' ' ' GLN . 1.3 m80 -87.17 -44.81 11.22 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.643 0.258 . . . . 0.0 110.942 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -77.19 -14.32 59.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 -173.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.92 3.51 60.16 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.913 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.88 124.19 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.818 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -124.53 78.76 62.45 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.233 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.0 -20.38 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.698 2.265 . . . . 0.0 113.039 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -79.07 79.54 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.786 0.327 . . . . 0.0 110.648 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -90.81 130.5 36.77 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.864 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.77 125.52 25.06 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.189 0.518 . . . . 0.0 111.048 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -2.21 1.59 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.035 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -61.65 1.56 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.242 0.217 . . . . 0.0 111.001 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.4 p -113.66 4.11 15.92 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.439 -172.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 62.32 17.88 9.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.996 0.518 . . . . 0.0 111.869 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -57.49 107.49 0.44 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -88.01 133.78 33.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -129.05 162.54 27.42 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.352 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -104.43 4.89 33.76 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -136.62 137.98 40.7 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.3 p -71.7 -35.51 70.25 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.72 -37.5 82.29 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.002 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.443 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.4 m-70 -64.64 -45.26 87.54 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 172.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.3 tt -64.61 -46.69 81.56 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.488 0.185 . . . . 0.0 111.009 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.31 -34.22 77.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.711 0.291 . . . . 0.0 110.676 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.7 m -69.14 -49.68 54.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.648 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.4 -32.86 73.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.818 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 m -53.94 -40.25 66.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.967 0.507 . . . . 0.0 110.786 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 86.7 mtt-85 -61.89 -22.77 65.84 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.22 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.2 m -54.34 -35.54 62.83 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.46 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -94.93 -33.46 12.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.359 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 18.9 p -91.4 -6.14 53.32 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.144 -169.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.97 2.29 30.02 Favored Glycine 0 CA--C 1.547 2.061 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.009 173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.75 92.93 0.91 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.937 0.368 . . . . 0.0 110.627 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -119.31 82.34 23.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.29 -18.19 8.63 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.671 2.247 . . . . 0.0 113.226 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.97 79.48 8.48 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.926 0.393 . . . . 0.0 110.992 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 t -78.7 146.02 34.21 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.7 t -70.39 161.26 30.8 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.362 169.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -125.78 5.34 7.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.803 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -64.26 149.62 94.14 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.771 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.12 23.34 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 123.032 2.488 . . . . 0.0 113.129 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 m -162.54 27.07 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.342 0.257 . . . . 0.0 110.771 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.8 t -139.04 152.7 47.8 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-O 121.086 0.47 . . . . 0.0 111.183 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -146.6 32.54 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.923 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -80.91 143.16 32.88 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -118.82 142.71 47.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.55 161.72 26.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.584 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.16 -0.97 37.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -133.03 139.13 47.05 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.13 0.49 . . . . 0.0 110.747 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -57.1 -44.72 83.46 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.654 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.61 -33.38 74.87 Favored 'General case' 0 CA--C 1.558 1.264 0 O-C-N 122.251 -0.281 . . . . 0.0 111.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -40.98 96.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.9 tp -65.56 -44.3 87.21 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.856 173.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.8 -41.41 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 120.81 0.338 . . . . 0.0 110.34 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.87 -46.85 80.07 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.538 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -54.53 -49.49 70.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.724 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.74 -39.49 74.05 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -17.0 63.71 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.102 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -108.74 3.76 23.0 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.03 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.379 0 CA-C-O 120.66 0.267 . . . . 0.0 111.017 -172.691 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.913 0 C5'-C4'-C3' 109.214 -3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.786 0 O4'-C4'-C3' 109.023 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.909 0 O4'-C4'-C3' 109.093 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.867 0 P-O3'-C3' 124.084 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.316 0 C3'-C2'-C1' 97.849 -3.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.443 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.544 4.094 0 O4'-C1'-C2' 103.286 -2.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.667 0 P-O3'-C3' 124.05 3.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-C2' 102.083 -3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.669 0 O4'-C4'-C3' 109.303 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.641 1 O4'-C4'-C3' 109.913 4.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.493 1 C5'-C4'-C3' 107.428 -4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-C2' 101.863 -3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C4'-C3' 108.913 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.212 0 O3'-P-O5' 96.676 -3.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O3'-P-O5' 97.148 -3.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 P-O3'-C3' 123.592 3.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 124.475 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C4'-C3' 108.772 3.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 109.507 3.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.15 0 O4'-C4'-C3' 108.768 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 1 P-O3'-C3' 124.629 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 0 P-O3'-C3' 124.242 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 2 P-O3'-C3' 124.991 4.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 0 P-O3'-C3' 123.973 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C4'-C3' 108.322 2.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 1 O3'-P-O5' 95.197 -4.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.408 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.621 2.768 3 O4'-C4'-C3' 112.335 6.735 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.408 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.185 0 P-O3'-C3' 122.977 2.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.209 0 O4'-C4'-C3' 108.444 2.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.807 0 O4'-C4'-C3' 108.532 2.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.119 1 O4'-C4'-C3' 110.527 4.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.456 0 O4'-C4'-C3' 109.426 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.593 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.87 1 O4'-C4'-C3' 110.854 5.254 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.593 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C5'-C4'-O4' 104.608 -2.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 120.564 0.221 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -59.71 -25.68 64.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.342 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.74 -7.87 37.77 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.319 0.248 . . . . 0.0 111.424 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -106.26 12.75 29.67 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.313 0.245 . . . . 0.0 110.998 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -110.74 156.59 40.38 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 122.459 0.303 . . . . 0.0 110.609 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.03 155.6 29.96 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -145.65 155.94 43.33 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.437 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.4 mtp -135.93 143.57 45.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.951 0.405 . . . . 0.0 110.666 169.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.45 158.72 23.11 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.354 171.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.97 20.04 3.02 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -85.91 122.44 72.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 171.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.73 96.59 0.25 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.385 2.057 . . . . 0.0 111.631 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.11 -22.27 1.25 Allowed Glycine 0 CA--C 1.543 1.843 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -169.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.0 -79.81 0.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.896 0.479 . . . . 0.0 110.257 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 56.7 40.8 29.01 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 122.82 0.448 . . . . 0.0 111.469 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -99.95 167.73 10.31 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.919 0.39 . . . . 0.0 111.262 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -99.4 127.19 45.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.522 -171.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 24' ' ' LEU . 86.8 m-85 -103.44 167.17 9.98 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.818 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -129.39 47.42 2.49 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.357 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 14.2 mttt -179.84 142.85 0.17 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.095 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.53 -55.67 14.44 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.773 0.32 . . . . 0.0 110.365 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -67.97 -35.68 78.79 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.974 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.91 -32.57 65.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.105 -179.085 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.0 -32.9 65.44 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.737 169.519 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -41.81 92.92 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.095 -0.378 . . . . 0.0 110.385 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 mmt -59.29 -49.85 76.26 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -58.22 -33.98 69.9 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.154 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -60.97 -35.25 76.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -56.31 -38.47 71.31 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.92 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -30.93 66.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.497 0.189 . . . . 0.0 111.027 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.64 -21.18 22.91 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.671 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 p -64.02 -33.83 76.62 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.223 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.35 -8.37 75.13 Favored Glycine 0 CA--C 1.542 1.729 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.672 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.37 -15.83 62.39 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.987 0.394 . . . . 0.0 110.751 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -136.6 77.59 45.54 Favored Pre-proline 0 CA--C 1.556 1.181 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.854 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -84.76 -179.0 3.5 Favored 'Trans proline' 0 CA--C 1.55 1.278 0 C-N-CA 123.158 2.572 . . . . 0.0 112.415 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 54' ' ' LEU . 39.2 m-85 -130.88 168.54 17.13 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.52 157.71 43.96 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.813 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 t -62.48 131.18 48.32 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.511 175.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.21 6.0 48.32 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -66.84 154.68 40.31 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.057 0.456 . . . . 0.0 110.951 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.26 -35.46 79.04 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.54 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.46 52.52 1.82 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 34.2 t -136.66 173.13 12.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.091 0.472 . . . . 0.0 110.824 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -158.02 21.33 0.26 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.773 -179.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -78.56 162.84 26.01 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.842 0.353 . . . . 0.0 110.428 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 148.24 40.13 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.554 -178.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 70.4 m-85 -139.06 139.25 37.72 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.408 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.3 m -81.91 -4.19 56.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.272 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -134.41 136.38 43.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.583 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -56.4 -41.51 76.42 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.619 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.82 -36.47 76.86 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.354 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -72.76 -34.23 66.86 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.1 tp -64.21 -48.92 74.04 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.502 169.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.94 -44.22 82.3 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.679 0.276 . . . . 0.0 110.833 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.14 -47.38 85.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 175.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 57.2 t60 -60.72 -43.19 98.16 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.38 -32.06 47.64 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -54.91 -33.26 61.91 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 122.349 -0.219 . . . . 0.0 110.628 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -42.41 96.5 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.179 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -86.53 -7.3 58.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.455 -173.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.2 p -122.11 -2.96 9.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.561 -171.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.24 5.51 21.56 Favored Glycine 0 CA--C 1.55 2.227 0 C-N-CA 121.515 -0.374 . . . . 0.0 113.079 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.91 118.13 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.8 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -122.39 87.2 48.6 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 83.3 Cg_endo -85.06 -11.99 7.27 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.577 2.185 . . . . 0.0 112.927 -172.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.822 ' HB3' HD13 ' A' ' 82' ' ' LEU . 71.7 m-85 -94.39 127.01 40.0 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.13 141.28 52.19 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.623 0.249 . . . . 0.0 110.943 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.9 t -64.49 148.29 50.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.102 0.477 . . . . 0.0 110.318 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -86.21 -3.25 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 -77.06 0.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.782 -169.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.74 -2.43 57.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.618 0.247 . . . . 0.0 111.246 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 58.17 33.39 23.11 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.719 0.408 . . . . 0.0 111.026 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -72.3 130.8 41.64 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 170.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.09 140.06 33.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.995 0.426 . . . . 0.0 110.846 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.66 157.8 45.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 71.2 m -97.04 -3.15 41.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.478 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.457 HH21 ' CE1' ' A' ' 81' ' ' HIS . 17.4 mtp180 -132.82 130.37 39.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -176.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.6 p -63.5 -35.03 79.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.241 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.46 -46.43 79.86 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.953 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' CE1' HH21 ' A' ' 78' ' ' ARG . 4.0 m-70 -63.85 -39.03 93.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.247 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.9 tt -62.55 -47.09 85.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.404 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.32 -34.24 76.25 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.3 m -69.65 -49.49 53.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.705 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -60.7 -37.06 80.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -53.87 -39.41 65.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -61.61 -27.82 68.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.481 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 m -54.5 -43.38 71.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 120.574 0.226 . . . . 0.0 111.179 173.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -84.77 -18.43 35.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.948 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.75 -2.85 56.78 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.05 23.19 59.14 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.423 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.82 133.39 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 -174.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -144.37 81.47 11.28 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.43 -23.86 11.15 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.466 2.111 . . . . 0.0 113.08 -171.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.2 m-85 -80.59 79.83 7.14 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.6 m -84.78 140.99 30.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.0 t -70.42 161.29 30.78 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -114.89 -84.66 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.513 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.405 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.6 m95 55.03 176.28 0.04 OUTLIER Pre-proline 0 CA--C 1.577 2.006 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 173.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 91.4 Cg_exo -53.67 -33.56 70.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.31 2.007 . . . . 0.0 112.624 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -167.75 75.49 0.14 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 37.9 t -138.08 160.31 39.71 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.063 0.459 . . . . 0.0 111.122 177.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.414 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 21.4 mm-40 -150.38 21.61 0.83 Allowed 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.61 128.2 34.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -108.46 140.6 41.55 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.318 -170.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.3 160.88 32.58 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.57 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.36 -0.93 40.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -133.52 139.13 46.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.651 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.2 p -61.02 -40.69 94.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.42 -33.63 75.56 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.47 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -60.86 -42.55 98.07 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.2 tp -66.4 -40.12 89.42 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.983 175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.13 -46.44 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.74 -46.98 87.26 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.779 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.77 -40.39 75.77 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.816 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -16.4 62.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 0.0 111.059 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 40.8 ttm -105.48 2.01 28.16 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.115 -172.152 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 C5'-C4'-C3' 107.897 -4.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.508 0 O4'-C4'-C3' 109.496 3.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.381 1 C3'-C2'-C1' 97.098 -4.001 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 0 P-O3'-C3' 123.556 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.557 2.894 0 O4'-C1'-C2' 103.53 -2.336 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 0 P-O3'-C3' 123.127 2.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.559 1 P-O3'-C3' 124.513 4.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 0 O4'-C4'-C3' 108.796 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O3'-P-O5' 94.792 -4.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.404 -2.081 1 C5'-C4'-C3' 108.678 -4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.568 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 P--O5' 1.555 -3.786 2 C5'-C4'-C3' 106.236 -5.642 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.568 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.462 3.225 0 C5'-C4'-C3' 110.68 -2.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 7.239 0 P-O3'-C3' 123.339 3.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.654 6.087 2 O3'-P-O5' 95.444 -4.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.446 1 P-O3'-C3' 124.626 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O3'-P-O5' 95.889 -4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.897 0 P-O3'-C3' 123.975 3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 C2'-C3'-O3' 115.7 1.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.081 0 C2'-C3'-O3' 119.108 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.75 1 P-O3'-C3' 125.796 5.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.93 0 O4'-C4'-C3' 109.299 3.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.973 1 P-O3'-C3' 125.896 5.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.379 1 O5'-C5'-C4' 116.647 4.605 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.371 0 O4'-C4'-C3' 109.104 3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 P-O3'-C3' 122.978 2.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 5.037 1 O3'-P-O5' 94.735 -4.876 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.016 2 O4'-C4'-C3' 111.631 6.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.565 0 O4'-C4'-C3' 109.487 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.17 0 O4'-C4'-C3' 108.793 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C4'-C3' 109.32 3.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.047 0 P-O3'-C3' 123.557 3.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.362 0 O4'-C4'-C3' 107.748 2.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.552 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.378 2 O4'-C4'-C3' 110.657 5.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.552 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.557 5.758 0 P-O3'-C3' 123.038 2.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.948 0 CA-C-O 120.665 0.269 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -64.31 105.87 1.0 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.892 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -71.26 -12.59 61.54 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.428 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.08 69.27 1.96 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.901 0.382 . . . . 0.0 110.613 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.93 156.46 51.41 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.34 156.43 58.77 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.548 2.166 . . . . 0.0 111.986 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.53 98.74 8.43 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.136 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.3 ttp -97.73 138.83 34.52 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.38 155.12 15.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.55 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.69 -12.71 12.15 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.43 116.46 40.22 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-O 120.493 0.187 . . . . 0.0 110.577 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -64.56 104.82 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.363 2.042 . . . . 0.0 111.257 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.57 -23.98 2.33 Favored Glycine 0 CA--C 1.539 1.568 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 10.7 t -126.37 -80.47 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.082 0.553 . . . . 0.0 110.311 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.97 37.67 29.11 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.694 0.398 . . . . 0.0 111.488 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -90.0 162.51 15.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.906 0.384 . . . . 0.0 111.238 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -98.7 141.7 31.19 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 111.425 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.661 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -127.83 164.21 22.7 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.197 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.69 -8.14 10.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 72.7 mmtt -125.59 135.53 52.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -47.38 86.7 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.084 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 p -68.14 -35.89 78.81 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -77.09 -35.67 56.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.853 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -68.4 -36.73 79.55 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.917 169.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -42.73 86.74 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 175.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.7 tpt -61.88 -44.47 96.74 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.487 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -58.11 -36.06 72.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.846 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -59.22 -35.21 73.22 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.546 0.212 . . . . 0.0 110.9 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -56.03 -38.25 70.3 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.36 -32.58 70.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.438 -177.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 27.1 m-70 -77.94 -21.45 51.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p -54.93 -26.3 35.2 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.204 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.01 0.87 89.54 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 121.605 -0.331 . . . . 0.0 112.549 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -127.27 -3.2 6.26 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.65 0.38 . . . . 0.0 111.213 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -63.28 111.53 5.22 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 122.52 0.328 . . . . 0.0 110.421 178.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.78 128.9 14.74 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.369 2.046 . . . . 0.0 113.34 -169.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 54' ' ' LEU . 97.2 m-85 -127.13 174.21 9.09 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.286 169.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -132.54 150.85 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.142 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 42.5 t -44.61 126.68 5.65 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -88.12 14.21 9.66 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.24 -9.89 58.86 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.024 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.33 -56.79 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.315 0.646 . . . . 0.0 110.885 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.42 46.08 1.31 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.876 0.369 . . . . 0.0 110.796 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 53.9 t -144.49 166.18 25.85 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 178.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 2.7 tp10 -141.79 22.21 2.13 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -175.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.77 129.58 36.84 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.79 0.329 . . . . 0.0 110.341 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -95.21 156.64 16.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.4 m-85 -135.66 164.75 27.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.2 p -107.8 4.66 25.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -163.8 155.42 16.72 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.752 0.31 . . . . 0.0 110.694 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -44.17 81.9 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.6 -42.8 75.36 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.324 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.24 -37.37 66.38 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.089 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -64.06 -48.56 75.75 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.795 0.331 . . . . 0.0 110.563 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -58.71 -42.57 88.95 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.572 0.349 . . . . 0.0 110.967 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.01 -45.17 91.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.3 t60 -60.87 -36.91 80.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.259 -179.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -53.37 -38.09 63.02 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.475 0.179 . . . . 0.0 110.786 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.53 -33.21 63.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.961 -0.109 . . . . 0.0 111.217 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.49 -35.92 82.5 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.167 0.187 . . . . 0.0 111.222 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -82.51 -43.96 16.53 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -73.77 -25.31 60.09 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.01 2.38 86.85 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-N 116.562 -0.29 . . . . 0.0 112.476 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.41 130.77 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.114 0.483 . . . . 0.0 111.052 -174.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -129.55 80.43 71.88 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.141 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.6 -8.85 17.2 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.731 2.288 . . . . 0.0 112.825 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.3 m-85 -96.92 75.16 2.66 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.737 0.304 . . . . 0.0 110.594 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.553 ' NE2' ' H ' ' A' ' 68' ' ' GLN . 1.9 pm0 -91.1 136.41 33.1 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -64.69 129.56 40.26 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.232 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -9.11 15.29 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.624 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 -60.52 1.52 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.288 0.235 . . . . 0.0 110.907 -175.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.03 1.66 13.3 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.408 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 65.09 14.58 9.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 122.787 0.435 . . . . 0.0 111.772 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -51.59 108.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 170.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -87.87 135.62 33.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.44 -170.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -132.14 161.4 33.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -108.41 2.2 22.24 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -137.51 120.71 16.8 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.941 -174.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -54.45 -35.38 62.95 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.57 -46.28 83.46 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 120.663 0.268 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -63.69 -36.37 83.63 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.949 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.9 tt -67.14 -47.11 72.05 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.65 -34.28 72.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.865 0.365 . . . . 0.0 110.555 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.4 m -70.41 -49.66 46.66 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.6 -30.45 71.56 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.0 m -54.08 -40.69 67.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.719 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -62.0 -23.14 66.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.122 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -54.59 -41.28 69.71 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.63 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -94.89 -26.3 16.22 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.114 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.5 m -91.48 -6.22 52.97 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.32 -17.14 1.97 Allowed Glycine 0 CA--C 1.551 2.313 0 C-N-CA 121.32 -0.467 . . . . 0.0 113.283 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.19 95.58 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.968 0.413 . . . . 0.0 110.855 -175.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.21 92.87 37.35 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -82.73 -21.31 5.05 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.517 2.145 . . . . 0.0 113.514 -169.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 89.5 m-85 -83.39 79.04 9.54 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -88.69 144.48 26.25 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.929 0.395 . . . . 0.0 111.185 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.407 ' HA ' HD11 ' A' ' 112' ' ' LEU . 32.6 t -70.41 152.81 43.66 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.163 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -121.39 11.9 10.79 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.083 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -65.78 159.22 70.71 Favored Pre-proline 0 CA--C 1.556 1.182 0 CA-C-O 120.634 0.254 . . . . 0.0 110.685 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.98 -33.88 54.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 C-N-CA 123.112 2.541 . . . . 0.0 113.533 -171.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.4 p -149.73 87.18 1.48 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.694 0.283 . . . . 0.0 110.538 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.1 t -160.97 -77.51 0.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 57.05 37.67 28.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 169.8 7.29 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -128.78 140.74 51.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.562 0.22 . . . . 0.0 111.107 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.32 154.95 46.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.657 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.05 -4.37 52.58 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -133.1 139.27 47.03 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.13 0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.5 p -57.19 -46.23 83.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.63 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.43 -33.69 76.28 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.412 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.0 tp -63.11 -45.09 93.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.681 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.93 -41.43 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.526 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -65.83 -46.87 76.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.48 -49.66 69.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.788 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -57.08 -39.1 74.31 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.938 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -16.96 63.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.8 mtt -110.52 6.62 22.13 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.959 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.344 0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 111.0 -173.291 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.171 0 C5'-C4'-C3' 111.486 -2.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.025 0 O4'-C1'-C2' 104.044 -1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 97.37 -3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.797 0 P-O3'-C3' 123.248 2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 0 C3'-C2'-C1' 99.675 -2.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 O4'-C1'-C2' 102.114 -3.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 1 P-O3'-C3' 124.575 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.249 0 O4'-C4'-C3' 109.242 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.652 3.763 0 O4'-C4'-C3' 109.56 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.413 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.394 -4.684 2 O4'-C1'-C2' 100.488 -5.102 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.413 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.55 4.913 6 C5'-C4'-O4' 118.467 5.667 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.583 8.955 2 C5'-C4'-C3' 105.692 -6.005 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.84 3 O4'-C4'-C3' 110.992 5.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.279 2 O3'-P-O5' 93.452 -5.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 P-O3'-C3' 125.749 5.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 0 O3'-P-O5' 97.528 -3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.874 0 P-O3'-C3' 124.003 3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C4'-C3' 108.288 2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.631 1 O4'-C4'-C3' 110.031 4.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.412 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.414 -2.948 1 P-O3'-C3' 125.648 4.957 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.404 1 O4'-C4'-C3' 109.636 4.036 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.168 1 P-O3'-C3' 124.72 4.183 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.194 1 P-O3'-C3' 125.07 4.475 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.24 0 O4'-C4'-C3' 109.484 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O3'-P-O5' 98.084 -3.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O3'-P-O5' 97.202 -3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.48 0 O4'-C4'-C3' 109.376 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 0 P-O3'-C3' 124.244 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.609 0 C5'-C4'-O4' 114.133 2.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O3'-P-O5' 97.826 -3.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C4'-C3' 108.917 3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.825 2 O4'-C4'-C3' 110.498 4.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.558 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 P-O3'-C3' 123.768 3.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.558 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 98.544 -2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.588 0.232 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -64.1 -15.21 59.14 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -81.93 -14.49 56.05 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.404 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -81.3 54.18 2.23 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -153.22 76.27 6.39 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -80.15 160.97 23.46 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.74 2.293 . . . . 0.0 112.243 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 58.6 m-85 -133.5 174.06 10.82 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.914 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -136.29 153.77 51.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.73 0.3 . . . . 0.0 110.542 169.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 15.4 t -67.66 161.58 25.52 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.8 172.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -106.8 -35.91 6.83 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.472 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -53.63 134.86 54.6 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 122.286 0.234 . . . . 0.0 111.399 -172.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.87 65.08 4.04 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.158 2.572 . . . . 0.0 112.48 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.53 -10.57 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.24 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.0 t -125.46 -79.78 0.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.641 0.376 . . . . 0.0 110.048 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.4 21.23 5.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.01 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -179.41 4.14 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.53 157.54 16.17 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.336 0.589 . . . . 0.0 111.487 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 26.0 m-85 -145.02 170.42 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.35 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' LYS . 9.5 t80 -108.72 -126.84 0.26 Allowed 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PHE . 92.5 mttt -11.37 106.37 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.385 1.074 . . . . 0.0 112.625 174.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.3 pt? -47.36 -43.86 23.48 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -177.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -67.99 -36.04 79.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.696 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.26 92.49 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.135 171.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.23 -38.73 90.34 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 122.349 -0.219 . . . . 0.0 110.472 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.9 tpt -64.61 -46.06 84.22 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.705 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -57.83 -44.25 86.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.036 0.446 . . . . 0.0 109.813 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -58.93 -35.16 72.63 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.649 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.8 tpt85 -58.88 -38.5 78.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.876 -0.147 . . . . 0.0 110.751 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.57 -35.03 71.75 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.452 0.168 . . . . 0.0 110.975 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -75.56 -21.42 57.89 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.273 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p -62.17 -14.69 40.14 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.673 171.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.88 55.49 0.55 Allowed Glycine 0 CA--C 1.533 1.158 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 112.3 3.9 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -174.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -130.64 85.64 55.28 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.158 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -84.9 173.39 8.18 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.861 2.374 . . . . 0.0 112.828 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.856 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.7 m-85 -131.91 160.82 34.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.539 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.95 151.79 52.01 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.651 172.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.99 162.66 27.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 170.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -141.13 74.98 1.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.143 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -129.96 161.9 29.85 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.966 -173.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.8 -17.54 64.55 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.838 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -125.8 8.37 7.51 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.534 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.2 t -152.4 138.52 18.26 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 121.339 0.59 . . . . 0.0 112.032 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -142.99 33.2 1.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.023 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -83.64 157.87 22.08 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.409 -170.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.11 151.48 30.77 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.189 0.519 . . . . 0.0 111.15 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.31 139.43 35.44 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.061 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 p -86.4 4.09 40.91 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -173.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -143.97 140.85 29.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -44.55 78.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.685 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -58.18 -42.56 86.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -63.54 -48.77 76.13 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.857 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.0 tp -58.63 -49.4 77.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 120.624 0.25 . . . . 0.0 110.695 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.99 -41.69 97.43 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.158 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -62.04 -47.43 84.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.777 0.322 . . . . 0.0 110.199 172.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -60.72 -36.78 79.71 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.041 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -53.11 -38.32 62.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.081 177.804 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -55.32 -32.96 62.9 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.035 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.86 -33.51 64.61 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.562 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -91.95 -40.69 10.99 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.561 0.219 . . . . 0.0 111.043 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.0 p -79.42 -10.55 59.83 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.395 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.81 4.74 48.76 Favored Glycine 0 CA--C 1.544 1.905 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.195 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.82 120.15 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.778 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -123.34 71.68 46.63 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.89 -21.24 12.61 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.695 2.263 . . . . 0.0 112.928 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.8 m-85 -81.44 76.38 8.37 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 47.8 tt0 -90.87 135.99 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.777 0.322 . . . . 0.0 111.175 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.19 124.4 22.53 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 172.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.67 -9.85 55.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.171 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -70.62 0.67 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.349 0.259 . . . . 0.0 110.848 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.9 p -93.3 -5.78 48.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.477 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 68.51 21.2 8.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.902 0.481 . . . . 0.0 111.244 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -72.4 117.06 13.59 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 120.753 0.311 . . . . 0.0 110.584 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 96.9 mttt -87.81 137.9 31.93 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.83 158.87 39.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.7 m -102.49 -3.18 27.28 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.311 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -133.6 138.12 45.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.998 0.428 . . . . 0.0 110.862 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 p -68.28 -35.83 78.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.11 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.62 -41.72 98.25 Favored 'General case' 0 CA--C 1.568 1.656 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.422 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.2 m-70 -63.48 -47.5 81.52 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 172.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -60.53 -47.64 85.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.967 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.81 -36.93 85.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.7 m -65.16 -50.03 67.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.533 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.51 -38.49 91.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.718 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.4 m -54.21 -41.62 68.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -64.37 -22.93 67.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.096 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 m -54.4 -41.15 68.93 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.31 0.244 . . . . 0.0 110.971 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -76.25 -18.61 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.614 0.245 . . . . 0.0 111.06 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 p -96.09 -6.23 39.0 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.26 7.63 33.05 Favored Glycine 0 CA--C 1.557 2.668 0 C-N-CA 121.593 -0.337 . . . . 0.0 112.823 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.43 103.61 4.85 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -119.98 91.59 45.75 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.221 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.06 -20.84 4.13 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.554 2.169 . . . . 0.0 113.058 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.6 m-85 -81.48 75.46 8.44 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -176.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.6 t -78.92 145.92 33.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.07 154.76 41.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 3.7 12.0 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.989 -176.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -65.91 147.38 98.81 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 120.747 0.308 . . . . 0.0 110.735 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.54 28.64 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.996 2.464 . . . . 0.0 112.862 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -163.35 20.55 0.08 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.3 t -146.52 168.33 21.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.229 0.538 . . . . 0.0 111.168 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.2 tp-100 -166.09 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.209 170.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -72.42 145.33 47.73 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.037 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -118.61 140.35 50.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -171.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.72 162.71 23.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.698 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.04 -6.44 38.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -133.58 143.66 48.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.254 0.549 . . . . 0.0 111.034 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 p -60.52 -43.16 97.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.921 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -67.43 -33.78 75.88 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.425 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.73 -42.43 97.3 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.99 -40.37 91.12 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.949 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.13 -47.53 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.216 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.21 -46.73 88.75 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -57.29 -45.15 84.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.096 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.33 -33.33 67.61 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.91 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.66 63.01 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.193 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 43.5 mtt -86.94 -1.05 57.55 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.296 0.238 . . . . 0.0 111.054 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 C--N 1.345 0.391 0 CA-C-O 120.676 0.275 . . . . 0.0 110.434 177.362 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.52 0 C3'-C2'-C1' 97.399 -3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C4'-C3' 108.96 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.304 1 O5'-C5'-C4' 116.239 4.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.822 0 O3'-P-O5' 98.386 -2.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 2 O4'-C4'-C3' 110.977 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.422 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.185 0 C4'-C3'-C2' 100.34 -2.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 1 O4'-C4'-C3' 110.552 4.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.899 1 O4'-C1'-C2' 101.533 -4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C4'-C3' 111.207 5.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . 0.522 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.646 5.309 0 C5'-C4'-C3' 108.814 -3.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.522 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 1 P--O5' 1.642 4.929 1 C5'-C4'-C3' 107.883 -4.545 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.533 0 O4'-C1'-C2' 101.743 -3.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O3'-P-O5' 96.064 -4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C4'-C3' 109.36 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.085 0 P-O3'-C3' 123.499 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 1 P-O3'-C3' 124.864 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.918 1 P-O3'-C3' 124.79 4.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.852 0 O4'-C4'-C3' 107.782 2.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.769 0 C5'-C4'-O4' 115.265 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 1 P-O3'-C3' 125.95 5.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 O4'-C4'-C3' 108.5 2.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.206 1 P-O3'-C3' 125.198 4.582 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.533 1 P-O3'-C3' 125.181 4.568 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.327 1 P-O3'-C3' 125.316 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 1 O4'-C4'-C3' 109.624 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.21 0 O3'-P-O5' 97.291 -3.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.44 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.626 3.297 0 C5'-C4'-C3' 109.028 -3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.44 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O3' 1.574 -2.76 2 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.854 0 O3'-P-O5' 99.34 -2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.865 0 O3'-P-O5' 98.627 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.424 1 P-O3'-C3' 126.687 5.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 1 C5'-C4'-C3' 106.938 -5.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.603 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C4'-C3' 111.177 5.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.603 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.516 0 C3'-C2'-C1' 98.828 -2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.578 0.227 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -167.78 155.94 9.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.741 0.305 . . . . 0.0 110.747 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.67 -21.76 62.56 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.175 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -135.63 155.72 49.99 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.161 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -125.38 157.73 66.74 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.324 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.22 -62.38 0.37 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.866 2.377 . . . . 0.0 113.114 -174.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.02 157.01 38.97 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 120.398 0.142 . . . . 0.0 111.006 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mtp -136.18 157.34 47.06 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 49.7 t -72.03 169.52 15.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.22 169.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -142.13 8.32 1.84 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.791 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 31' ' ' HIS . 45.9 t80 -74.35 138.99 74.89 Favored Pre-proline 0 CA--C 1.551 0.998 0 O-C-N 122.185 -0.322 . . . . 0.0 110.393 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.88 84.42 0.52 Allowed 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.715 2.277 . . . . 0.0 112.15 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 2.24 0.89 Allowed Glycine 0 CA--C 1.545 1.932 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.553 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 t -131.6 -74.79 0.52 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.78 0.29 . . . . 0.0 110.859 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 39.95 58.17 2.19 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 122.868 0.467 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -97.65 -177.55 3.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.435 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 142.45 50.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.069 0.462 . . . . 0.0 111.739 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.598 ' CD1' HD23 ' A' ' 24' ' ' LEU . 70.2 m-85 -129.76 169.69 14.8 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.45 -176.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -118.05 -14.67 9.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.611 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 44.2 mttp -130.14 129.96 44.16 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.411 0.284 . . . . 0.0 110.75 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -57.84 -47.6 82.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.391 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -67.9 -46.51 71.4 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.913 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -60.4 -30.24 69.48 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.547 -179.377 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.1 -40.54 64.89 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 122.195 -0.316 . . . . 0.0 111.015 170.142 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -58.05 -38.47 76.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.83 -44.84 92.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.706 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -58.01 -39.05 77.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.238 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -59.18 -27.84 66.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.543 ' NH1' ' H62' ' C' ' 145' ' ' ' DA' . 42.2 mtp85 -55.39 -38.46 68.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -56.34 -33.54 65.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.09 177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 41.8 m-70 -89.62 -33.01 16.83 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.2 p -52.49 -32.83 42.08 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.85 0.357 . . . . 0.0 110.05 173.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 70.04 0.51 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.99 94.52 0.64 Allowed 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.994 0.426 . . . . 0.0 110.409 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 37.75 57.27 4.49 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 124.641 1.176 . . . . 0.0 113.389 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 49' ' ' SER . 38.8 Cg_endo -89.84 -25.49 0.49 Allowed 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.697 2.264 . . . . 0.0 113.019 174.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.675 ' HB3' HD22 ' A' ' 54' ' ' LEU . 22.0 m-85 -82.53 89.71 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 -174.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.48 140.13 30.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -63.79 156.5 27.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 169.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.14 20.79 4.46 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 59.6 t80 -65.56 166.24 10.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 121.093 0.473 . . . . 0.0 110.897 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -64.66 -16.41 62.77 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.07 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.38 24.97 1.11 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 41' ' ' PHE . 49.1 t -137.64 145.53 42.8 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 121.22 0.533 . . . . 0.0 111.287 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.74 29.76 0.91 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.2 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -67.91 142.02 56.19 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.25 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -108.59 131.47 54.83 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.33 164.62 15.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.469 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -93.02 -37.96 11.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.347 -175.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.5 mtm-85 -111.68 153.1 26.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.151 0.5 . . . . 0.0 111.195 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.85 82.64 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.614 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.46 -35.15 80.05 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.382 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.46 HE21 ' NH2' ' A' ' 50' ' ' ARG . 88.5 mt-30 -64.27 -48.95 73.75 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 176.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 37' ' ' TYR . 58.8 tp -63.12 -43.43 98.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.05 -45.86 91.67 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.557 0.217 . . . . 0.0 110.883 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.69 -44.02 90.16 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.685 0.278 . . . . 0.0 110.286 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -60.73 -42.24 96.93 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -53.46 -30.62 41.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.301 0.24 . . . . 0.0 111.456 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -54.96 -33.05 62.02 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 120.495 0.188 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -57.91 -44.63 86.93 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.362 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -80.62 -25.97 38.05 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.704 0.288 . . . . 0.0 111.321 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -97.29 -1.41 44.74 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.294 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.17 11.86 28.17 Favored Glycine 0 CA--C 1.547 2.063 0 C-N-CA 121.704 -0.284 . . . . 0.0 113.307 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.1 131.77 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-O 121.128 0.49 . . . . 0.0 111.188 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.24 78.05 65.14 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.267 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -85.46 -20.51 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.658 2.238 . . . . 0.0 112.961 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 97.6 m-85 -78.03 84.88 4.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.686 0.279 . . . . 0.0 110.748 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -90.42 141.55 28.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 111.186 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.18 148.96 48.84 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.675 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.18 -8.04 58.78 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.68 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.22 -79.03 0.58 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.806 -173.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.4 p -81.13 -10.36 59.67 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.514 0.197 . . . . 0.0 111.168 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 67.84 29.21 6.78 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.968 0.507 . . . . 0.0 111.504 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.13 129.97 40.29 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 120.661 0.267 . . . . 0.0 110.461 170.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -89.09 145.13 25.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -141.85 167.51 21.97 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.525 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -104.24 -5.66 21.67 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.414 HH21 ' CE1' ' A' ' 81' ' ' HIS . 15.1 mtp180 -142.89 119.64 11.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.756 0.312 . . . . 0.0 111.07 -173.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 10.1 p -61.58 -20.64 63.52 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.7 -37.74 73.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' CE1' HH21 ' A' ' 78' ' ' ARG . 5.4 m-70 -73.84 -31.17 63.07 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.643 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.37 -47.79 69.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.523 0.202 . . . . 0.0 110.839 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.74 -37.36 86.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.827 0.346 . . . . 0.0 110.428 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.3 m -63.35 -49.49 73.7 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.539 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -64.11 -31.42 72.61 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -54.07 -38.25 65.1 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 122.821 0.448 . . . . 0.0 110.644 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -61.49 -22.57 65.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.947 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.2 m -54.48 -42.93 71.29 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.134 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.84 25.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.841 0.353 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -91.76 -3.09 56.6 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.201 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 52.51 20.1 7.07 Favored Glycine 0 CA--C 1.549 2.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 112.408 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.95 88.77 4.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.859 0.361 . . . . 0.0 111.017 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -112.56 80.81 3.81 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.29 -19.94 5.23 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.748 2.298 . . . . 0.0 112.949 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.3 m-85 -80.26 77.28 7.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.995 0.426 . . . . 0.0 110.743 -176.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 47.6 t -78.77 146.14 33.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.746 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.2 155.33 40.79 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.056 170.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.46 8.05 8.36 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.673 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -63.63 151.53 88.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.668 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 4.9 2.08 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.824 2.349 . . . . 0.0 113.303 -173.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.3 p -146.81 36.18 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.833 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 25.1 t -145.76 165.51 28.6 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.212 0.53 . . . . 0.0 111.313 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -160.29 21.22 0.15 Allowed 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.31 173.176 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 42.1 mtmt -77.58 146.9 35.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 32.7 mttm -128.46 143.55 51.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.056 0.455 . . . . 0.0 111.272 -170.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.44 160.11 31.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.649 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.58 2.19 52.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.166 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -134.3 138.67 45.14 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.166 0.508 . . . . 0.0 110.823 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 3.0 p -59.18 -44.01 92.18 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.927 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.52 -33.78 75.77 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -60.75 -41.35 95.25 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.15 -40.59 86.72 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.981 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -44.99 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 120.681 0.277 . . . . 0.0 110.268 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.79 -46.84 83.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.363 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.97 -46.14 75.05 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.118 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -57.38 -33.64 68.03 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.865 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -18.52 65.21 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.207 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 49.8 mtt -77.51 -19.16 56.27 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.492 0.187 . . . . 0.0 110.919 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.345 0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 177.231 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . 0.409 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.137 0 O4'-C4'-C3' 108.783 3.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . 0.409 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.774 0 C5'-C4'-O4' 103.155 -3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.569 1 O4'-C1'-C2' 99.969 -5.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.6 5.67 2 O4'-C4'-C3' 110.43 4.83 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.132 3 C1'-O4'-C4' 102.484 -5.154 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 0 P-O3'-C3' 124.265 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.255 1 C5'-C4'-C3' 108.176 -4.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.279 0 P-O3'-C3' 124.367 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.959 0 P-O3'-C3' 124.464 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 0 O4'-C1'-C2' 103.09 -2.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.887 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.517 1 O4'-C1'-C2' 101.373 -4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.412 1 P-O3'-C3' 125.316 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C4'-C3'-C2' 99.924 -3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.353 1 O3'-P-O5' 95.528 -4.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O3'-P-O5' 97.289 -3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.053 0 P-O3'-C3' 123.735 3.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.757 0 O4'-C4'-C3' 109.185 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 C2'-C3'-O3' 118.739 3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . 0.411 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.46 3 O4'-C4'-C3' 110.197 4.597 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . 0.411 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.235 0 O3'-P-O5' 96.611 -3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . 0.543 ' H62' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.812 1 P-O3'-C3' 124.588 4.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.395 -4.591 1 O5'-C5'-C4' 119.566 6.69 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O3'-P-O5' 97.278 -3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.637 2.527 0 P-O3'-C3' 123.084 2.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . 0.408 H2'' " H5'" ' C' ' 150' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.4 -4.149 2 O3'-P-O5' 94.949 -4.763 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.408 " H5'" H2'' ' C' ' 149' ' ' ' DG' . . . . . . . . 0 P--O5' 1.626 3.334 1 O4'-C4'-C3' 110.864 5.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.571 3.573 2 O4'-C1'-C2' 100.477 -5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 O4'-C4'-C3' 109.266 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.11 1 O4'-C4'-C3' 111.075 5.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.391 -5.01 0 O4'-C1'-C2' 110.478 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 1 P-O3'-C3' 124.916 4.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.602 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.399 -1.639 1 O4'-C4'-C3' 110.5 4.9 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.602 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.677 0 P-O3'-C3' 122.513 2.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 CA-C-O 120.321 0.105 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 73.85 -47.85 0.66 Allowed 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.37 0.668 . . . . 0.0 111.535 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 67.32 -63.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.259 0.624 . . . . 0.0 110.799 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 130.34 39.27 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -143.73 158.39 56.64 Favored Pre-proline 0 N--CA 1.474 0.732 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.395 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.34 112.57 3.48 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.482 2.122 . . . . 0.0 112.617 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -129.99 142.66 50.6 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.594 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.45 148.59 47.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.5 t -71.42 173.57 7.71 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.971 169.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -140.68 4.26 1.92 Allowed 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -69.81 135.17 87.83 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -56.09 -19.16 25.64 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.864 2.376 . . . . 0.0 113.721 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.24 58.03 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 121.38 -0.438 . . . . 0.0 112.675 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -137.49 -92.28 0.23 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.567 0.183 . . . . 0.0 110.973 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.73 39.47 20.9 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.807 0.337 . . . . 0.0 111.14 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.84 166.13 12.34 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.909 0.385 . . . . 0.0 111.238 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 130.47 46.89 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.195 0.521 . . . . 0.0 111.464 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.762 ' CD1' HD23 ' A' ' 24' ' ' LEU . 75.1 m-85 -114.6 166.26 11.91 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.376 1.07 . . . . 0.0 110.598 178.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -120.53 -15.18 8.54 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.763 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 3.9 mmpt? -120.89 132.24 54.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.688 0.28 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.95 -50.15 74.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.807 0.337 . . . . 0.0 110.547 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 p -68.09 -36.09 79.23 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.58 -39.02 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.524 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.05 -35.34 78.07 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.19 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -60.93 -42.59 98.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.21 -43.33 95.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -58.03 -43.74 86.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 110.377 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -58.99 -29.93 67.59 Favored 'General case' 0 CA--C 1.524 -0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.84 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HD3' ' H71' ' B' ' 134' ' ' ' DT' . 2.4 tmm_? -55.32 -38.43 68.7 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.577 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.48 -35.7 68.27 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -89.72 -13.74 36.21 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.2 p -58.87 -37.59 76.9 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.241 -170.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.74 26.12 24.56 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.451 -0.341 . . . . 0.0 112.546 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -66.76 -14.36 62.49 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.878 0.339 . . . . 0.0 111.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.65 92.88 12.95 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 122.319 0.248 . . . . 0.0 110.964 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.46 169.01 20.6 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.616 2.211 . . . . 0.0 112.641 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' HB3' HD22 ' A' ' 54' ' ' LEU . 13.1 m-85 -137.31 163.82 30.07 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.518 176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.82 147.42 52.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 t -75.16 169.95 17.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -129.9 2.08 4.85 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.976 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -64.23 152.13 41.72 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -55.95 -62.86 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.367 -172.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.83 47.53 1.46 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.921 0.391 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -146.05 -107.22 0.1 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 67.78 32.3 5.4 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.002 0.43 . . . . 0.0 110.298 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' NH2' HH21 ' A' ' 60' ' ' ARG . 70.9 mtt85 -90.06 149.94 22.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 154.14 23.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.236 0.541 . . . . 0.0 111.067 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.8 m-85 -140.21 164.79 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.658 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -105.95 -8.06 17.82 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' HE21 ' A' ' 53' ' ' GLN . 92.9 mtm-85 -141.34 156.3 45.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.105 0.479 . . . . 0.0 111.16 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -44.63 91.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.489 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -34.36 77.76 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.297 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.496 HE21 ' NH2' ' A' ' 50' ' ' ARG . 78.7 mt-30 -62.86 -50.35 71.25 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 37' ' ' TYR . 66.4 tp -62.07 -45.92 91.39 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.831 176.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.26 -40.19 93.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.25 0.22 . . . . 0.0 111.27 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -61.79 -44.39 96.96 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 3.1 t60 -60.74 -38.13 84.13 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -53.3 -31.67 45.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.24 0.216 . . . . 0.0 111.308 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 14.4 mmp_? -55.03 -32.93 62.24 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.406 0.146 . . . . 0.0 110.845 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.498 HH11 H5'' ' B' ' 129' ' ' ' DG' . 51.1 ttt85 -55.73 -41.61 74.14 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.428 0.291 . . . . 0.0 111.42 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.97 -45.83 13.63 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.695 0.284 . . . . 0.0 110.782 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -76.2 -9.47 58.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.631 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.62 1.42 23.15 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.724 -0.274 . . . . 0.0 112.895 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 66.1 t -71.21 108.78 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.984 0.421 . . . . 0.0 110.901 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -117.67 85.48 21.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.035 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD3' HG12 ' A' ' 64' ' ' VAL . 81.2 Cg_endo -85.78 -20.28 3.09 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.671 2.247 . . . . 0.0 113.068 -170.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -79.09 74.66 5.63 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.553 0.216 . . . . 0.0 110.633 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 45.1 tt0 -91.06 130.61 36.94 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.821 0.343 . . . . 0.0 111.345 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.74 124.26 21.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.317 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.84 -11.75 60.81 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.265 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -72.92 0.43 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.29 -8.51 35.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.597 -173.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 72.14 21.33 3.98 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.868 0.467 . . . . 0.0 111.127 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 106.92 1.27 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.595 171.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 1.3 ptpm? -87.88 126.27 34.95 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.11 -177.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.09 162.36 18.32 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.72 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 p -103.41 1.7 32.89 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.177 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -140.18 143.5 36.13 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 p -68.27 -33.84 75.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.043 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -66.72 -38.28 86.38 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 120.553 0.216 . . . . 0.0 111.192 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -71.31 -37.79 71.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.554 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.5 -46.47 82.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.531 0.205 . . . . 0.0 110.849 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.51 -34.33 77.98 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.683 0.278 . . . . 0.0 110.602 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.4 m -66.38 -49.58 66.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.491 175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.72 -34.12 76.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.011 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -54.27 -41.19 68.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.612 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -62.22 -24.22 67.11 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.272 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 p -68.9 -34.38 75.32 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.365 0.126 . . . . 0.0 110.932 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -83.1 -20.24 35.23 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.775 0.321 . . . . 0.0 110.671 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -91.83 -6.15 52.16 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.19 53.26 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.349 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.93 108.04 15.97 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -124.03 80.98 57.25 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.38 -22.96 3.67 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.723 2.282 . . . . 0.0 112.893 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.2 m-85 -76.19 77.23 3.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.988 0.423 . . . . 0.0 110.677 -177.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -82.91 142.46 31.42 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.7 t -70.45 160.42 32.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.113 0.483 . . . . 0.0 110.947 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -120.73 6.55 10.47 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.919 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -68.59 162.65 61.03 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.78 106.33 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 123.079 2.519 . . . . 0.0 113.171 -174.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.5 t 61.75 20.7 11.61 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 38.4 t -73.69 156.08 38.3 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.004 0.431 . . . . 0.0 110.745 176.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -146.92 22.61 1.23 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.839 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -77.87 132.74 38.11 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -128.42 138.0 52.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.82 162.42 25.18 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.823 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.11 1.99 39.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -135.91 135.08 39.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.066 0.46 . . . . 0.0 110.484 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 4.2 p -57.51 -43.3 84.14 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -67.32 -33.49 75.38 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.57 -41.74 95.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.5 tp -66.11 -41.4 90.64 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.857 175.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.2 -42.43 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.65 -46.94 83.36 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.344 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -54.37 -48.6 71.32 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.789 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.69 -39.73 74.34 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -71.74 -15.62 62.19 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.188 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.3 mtm -106.73 3.43 26.61 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 122.232 0.213 . . . . 0.0 110.991 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.328 0 CA-C-O 120.731 0.301 . . . . 0.0 111.027 -172.268 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 C5'-C4'-C3' 109.645 -3.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.754 0 O3'-P-O5' 99.768 -2.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-C2' 101.531 -4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.58 0 C5'-C4'-O4' 103.592 -3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 C1'-O4'-C4' 105.854 -2.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ' DG' . . . . . 0.498 H5'' HH11 ' A' ' 60' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.125 0 O4'-C1'-C2' 102.586 -3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 2 O4'-C4'-C3' 111.825 6.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.817 0 O4'-C1'-C2' 102.222 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 1 O4'-C4'-C3' 109.8 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.305 2 O3'-P-O5' 94.774 -4.856 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ' DT' . . . . . 0.483 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.389 -5.194 2 C5'-C4'-C3' 107.544 -4.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ' DC' . . . . . 0.483 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.384 -5.592 2 O5'-C5'-C4' 118.961 6.258 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.949 1 O4'-C4'-C3' 109.748 4.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.217 2 P-O3'-C3' 124.802 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 2 P-O3'-C3' 125.329 4.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.05 2 O4'-C4'-C3' 109.997 4.397 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 1 P-O3'-C3' 125.341 4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.928 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.942 0 O4'-C4'-C3' 109.175 3.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.891 1 O3'-P-O5' 95.814 -4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.62 1 O4'-C4'-C3' 110.566 4.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.684 2 C4'-C3'-C2' 98.222 -4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.176 1 O5'-C5'-C4' 118.089 5.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 0 O4'-C4'-C3' 108.754 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 0 C5'-C4'-C3' 109.021 -3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.806 1 C4'-C3'-C2' 98.419 -4.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' C' C ' 150' ' ' ' DC' . . . . . 0.425 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.294 1 O4'-C4'-C3' 110.399 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 151' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.63 3.718 0 P-O3'-C3' 122.579 2.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 0 O4'-C4'-C3' 108.095 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.653 0 O4'-C4'-C3' 108.697 3.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.905 0 P-O3'-C3' 124.102 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.7 0 O4'-C4'-C3' 109.599 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 156' ' ' ' DC' . . . . . 0.542 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.192 0 O4'-C4'-C3' 109.164 3.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 157' ' ' ' DG' . . . . . 0.542 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.542 0 O4'-C4'-C3' 108.467 2.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.6 158.69 43.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.197 0.522 . . . . 0.0 112.12 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 40.7 t -119.3 165.29 14.46 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.051 168.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.28 -3.87 7.4 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 56.3 t80 -75.07 143.86 78.13 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 120.601 0.239 . . . . 0.0 110.763 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.37 149.31 23.38 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.764 2.31 . . . . 0.0 112.875 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.54 9.43 18.11 Favored Glycine 0 CA--C 1.559 2.808 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.747 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 49.0 t -88.41 171.03 10.42 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 117.466 0.633 . . . . 0.0 110.56 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 40.8 t30 -68.24 -34.85 76.98 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.378 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.5 mttp 66.41 14.53 9.75 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 122.999 0.52 . . . . 0.0 111.469 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -148.71 127.13 12.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.265 171.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.746 ' CD1' HD23 ' A' ' 24' ' ' LEU . 71.1 m-85 -126.89 164.55 21.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.695 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.09 -14.06 9.94 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.787 -171.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 18.8 mmtm -127.62 129.14 46.73 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.832 0.349 . . . . 0.0 110.45 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.05 -57.16 11.34 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -67.87 -35.66 78.92 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.77 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.23 -40.95 98.9 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.087 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -69.55 -37.87 77.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 173.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.98 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.999 -0.438 . . . . 0.0 110.353 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.0 tpt -60.08 -41.23 92.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.1 t60 -57.86 -43.24 85.82 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.272 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -59.31 -38.06 79.3 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.037 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -38.12 73.51 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.56 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.17 -38.43 70.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.215 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 21.7 m-70 -80.92 -23.39 38.94 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 -172.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 175.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 54' ' ' LEU . 34.6 m-85 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.626 0.251 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -132.65 154.92 49.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.605 171.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.2 t . . . . . 0 CA--C 1.542 0.67 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 179.091 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -124.24 155.74 38.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.126 0.489 . . . . 0.0 110.959 -177.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.7 m-85 -138.62 164.83 28.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.074 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 p -105.26 4.63 31.27 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.502 ' HG2' ' H ' ' A' ' 52' ' ' ASP . 22.5 ttp180 -164.18 158.08 18.69 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.798 0.332 . . . . 0.0 111.059 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -39.46 83.0 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 175.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' H ' ' HG2' ' A' ' 50' ' ' ARG . 28.1 t0 -65.53 -40.57 93.08 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.88 73.05 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.727 0.299 . . . . 0.0 110.603 175.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.7 tp -60.99 -46.45 90.68 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -58.84 -46.25 88.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.735 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.44 -46.05 84.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.619 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.69 -40.94 94.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.767 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -54.0 -38.43 65.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.092 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -55.72 -33.33 64.13 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 122.376 -0.203 . . . . 0.0 111.125 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.501 ' HG3' HH11 ' A' ' 60' ' ' ARG . 1.0 OUTLIER -68.15 -31.87 71.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.015 0.126 . . . . 0.0 111.193 179.052 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -85.3 -33.62 22.06 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.1 p -94.38 -12.85 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.579 -171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.43 13.08 73.81 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 121.575 -0.345 . . . . 0.0 112.471 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.423 HG12 ' HD3' ' A' ' 66' ' ' PRO . 35.2 t -67.41 105.95 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.026 0.441 . . . . 0.0 110.957 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.67 82.49 41.32 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.177 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 64' ' ' VAL . 82.0 Cg_endo -85.27 -18.88 3.92 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.636 2.224 . . . . 0.0 112.983 -172.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.496 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.9 m-85 -80.89 84.6 6.35 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.628 0.251 . . . . 0.0 110.762 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -90.37 130.22 36.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.037 0.446 . . . . 0.0 110.991 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.432 ' SG ' ' HE3' ' A' ' 70' ' ' LYS . 19.4 t -64.62 124.47 21.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.867 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -57.83 -24.92 59.68 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.719 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -62.79 1.19 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.609 0.243 . . . . 0.0 110.816 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.26 -19.0 61.16 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.678 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 62.61 8.92 3.19 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.572 0.349 . . . . 0.0 111.002 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -69.25 122.43 18.82 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.494 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.86 124.5 33.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.916 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.07 162.48 16.42 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.411 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 p -101.58 -6.49 23.79 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.637 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -136.89 143.17 42.84 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 111.196 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.6 p -65.09 -39.59 93.4 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.926 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.57 -34.86 79.25 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.226 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -68.1 -45.82 72.64 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.538 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.25 -45.23 89.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.19 -34.27 77.97 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -67.62 -49.66 61.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.97 -33.99 75.33 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 m -54.28 -40.99 68.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.705 0.402 . . . . 0.0 110.974 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -61.98 -22.72 65.9 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 m -54.5 -40.83 68.93 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.858 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -86.67 -22.91 25.83 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.616 0.246 . . . . 0.0 110.95 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.81 -6.27 51.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.529 -169.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.61 15.08 38.71 Favored Glycine 0 CA--C 1.546 2.022 0 C-N-CA 121.471 -0.395 . . . . 0.0 112.528 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.38 96.36 7.32 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -121.58 83.69 41.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.17 -19.51 4.63 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.694 2.263 . . . . 0.0 113.058 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.0 m-85 -81.16 75.99 8.12 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 84.7 p -78.86 145.97 33.89 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.2 t -70.28 161.22 30.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.124 0.488 . . . . 0.0 110.935 176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -125.54 7.62 7.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.908 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -65.26 153.02 90.56 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.502 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.68 4.71 2.0 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 122.781 2.321 . . . . 0.0 113.33 -171.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -148.26 30.69 0.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.081 0.152 . . . . 0.0 111.152 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.81 150.27 34.97 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.56 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -145.25 23.39 1.49 Allowed 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.946 169.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.5 mtmm -68.38 144.15 54.86 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 36.3 mttm -123.83 144.56 49.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.139 0.495 . . . . 0.0 111.548 -169.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -123.83 164.58 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.39 2.03 44.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.009 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -135.67 136.34 40.84 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.104 0.478 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.403 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 13.9 p -57.21 -45.31 83.94 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.716 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.15 -33.58 75.72 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.465 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.69 -40.59 92.75 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.0 tp -66.29 -43.19 87.06 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.77 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.03 -41.59 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.16 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.53 -46.88 84.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.431 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 58.9 t60 -54.51 -49.84 69.24 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 110.772 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -56.65 -37.85 71.36 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.966 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -18.79 64.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.179 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.7 mtm -106.0 0.66 25.86 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.079 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.344 0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.078 -171.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 80.9 m-85 . . . . . 0 N--CA 1.469 0.502 0 CA-C-O 120.441 0.162 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -136.25 152.78 51.09 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.977 0.417 . . . . 0.0 110.31 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.14 159.76 25.53 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.927 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.63 61.66 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -150.62 134.69 9.27 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.248 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.76 -32.58 93.12 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.454 2.103 . . . . 0.0 112.632 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 6.64 49.82 Favored Glycine 0 CA--C 1.55 2.228 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.783 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 t -151.63 -89.2 0.06 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.864 0.332 . . . . 0.0 110.792 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.98 28.3 16.02 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 120.922 0.392 . . . . 0.0 111.01 -176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -81.37 170.65 15.74 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 135.83 39.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.328 0.585 . . . . 0.0 111.698 -169.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.766 ' CD1' HD23 ' A' ' 24' ' ' LEU . 61.8 m-85 -116.45 163.7 15.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.512 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.46 -8.53 13.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.629 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 21.2 mtpp -132.18 149.51 52.37 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.1 tt -76.17 -48.47 20.38 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.609 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 p -68.16 -35.96 78.88 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.6 -43.15 81.18 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.339 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -64.42 -32.28 73.84 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.521 170.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.561 HE21 ' NH1' ' A' ' 29' ' ' ARG . 54.2 tt0 -64.82 -44.45 89.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.088 -0.382 . . . . 0.0 110.688 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -57.97 -46.27 85.41 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -58.0 -44.79 87.42 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 m -59.6 -35.44 74.33 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.168 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.561 ' NH1' HE21 ' A' ' 25' ' ' GLN . 39.2 mtt85 -61.94 -38.04 86.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -31.29 66.59 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 121.354 -0.138 . . . . 0.0 111.097 175.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -89.66 -26.81 20.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.999 175.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 54' ' ' LEU . 74.2 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.678 0.275 . . . . 0.0 110.462 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.7 149.81 52.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 t . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.886 0.374 . . . . 0.0 110.824 177.581 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.66 153.09 21.03 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 111.024 -175.105 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 91.8 m-85 -135.6 164.8 27.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.02 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 p -110.52 20.44 17.7 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.453 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -168.56 157.15 8.52 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.66 0.267 . . . . 0.0 111.016 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.5 p -62.35 -35.19 78.35 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.411 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.1 -42.75 88.85 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.61 -47.11 79.8 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.634 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -60.16 -43.13 96.02 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 176.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.81 -47.07 88.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.344 0.258 . . . . 0.0 110.944 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -57.88 -47.4 82.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.692 0.282 . . . . 0.0 110.282 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.0 t60 -60.88 -37.28 81.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -177.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -53.39 -38.18 63.15 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -33.37 63.36 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.316 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -58.12 -35.35 71.35 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.238 0.215 . . . . 0.0 111.254 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.46 -37.15 12.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.618 0.247 . . . . 0.0 111.163 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.1 p -81.34 -19.28 43.15 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.337 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.74 63.85 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.489 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.493 HG12 ' HD3' ' A' ' 66' ' ' PRO . 39.1 t -68.31 113.05 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.881 -175.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -121.52 81.3 39.28 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.306 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.493 ' HD3' HG12 ' A' ' 64' ' ' VAL . 85.8 Cg_endo -81.67 -23.0 5.1 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.666 2.244 . . . . 0.0 112.747 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.1 m-85 -78.92 76.28 5.41 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.653 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 pt20 -91.09 137.63 32.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.066 0.46 . . . . 0.0 111.044 -177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.488 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 t -64.59 129.43 39.8 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.468 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.488 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -66.1 -2.02 3.74 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.775 176.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -67.35 0.99 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.43 0.292 . . . . 0.0 110.762 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 29.2 p -108.65 3.88 23.3 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -174.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.33 15.99 9.12 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.961 0.505 . . . . 0.0 111.843 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -53.65 111.96 0.83 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 169.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 43.5 mttt -87.88 136.61 32.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.126 0.488 . . . . 0.0 111.063 -172.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -130.74 160.92 32.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.417 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 m -105.63 -0.22 25.83 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -133.35 135.34 44.69 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 110.707 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 p -65.76 -39.53 91.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.57 -34.83 79.16 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -67.3 -42.65 83.38 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.617 172.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -65.81 -46.73 77.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.56 0.219 . . . . 0.0 110.986 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.54 -34.38 77.68 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.63 0.253 . . . . 0.0 110.432 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.8 m -67.01 -49.62 64.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.67 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -63.07 -32.72 74.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.17 -40.99 68.01 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -62.11 -24.62 67.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.424 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -65.71 -28.91 69.41 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.912 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.76 -24.2 17.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.959 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -91.89 -6.14 52.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.542 -170.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.33 13.95 55.64 Favored Glycine 0 CA--C 1.545 1.907 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.38 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.34 91.34 5.04 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.851 0.358 . . . . 0.0 110.795 -174.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -117.41 78.95 11.37 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.38 -24.24 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.659 2.239 . . . . 0.0 112.871 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.4 m-85 -77.56 77.37 4.08 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -176.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.0 m -81.61 145.16 30.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.463 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.7 t -70.36 159.7 33.66 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.088 0.471 . . . . 0.0 110.968 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.2 14.73 7.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.9 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -65.22 160.88 54.2 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.65 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.78 -32.27 28.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 123.113 2.542 . . . . 0.0 113.55 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.4 p -147.08 82.13 1.55 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.702 0.286 . . . . 0.0 110.566 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 42.5 t -148.88 155.38 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -145.21 22.92 1.52 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.424 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mppt? -78.32 138.2 38.45 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -128.44 143.4 50.98 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -172.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.9 162.41 27.6 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.4 -0.07 38.89 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.046 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -135.32 137.75 42.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 110.489 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 16.1 p -57.22 -44.8 84.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.697 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -67.41 -33.56 75.43 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.707 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -60.6 -39.56 88.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.22 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.8 tp -67.65 -42.56 82.03 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.884 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 80.2 t -57.98 -41.64 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.06 -46.81 85.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -54.51 -49.5 70.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.537 0.208 . . . . 0.0 110.744 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -56.65 -39.58 73.95 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.836 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -16.62 63.8 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.178 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -109.56 2.83 20.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.993 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.067 -172.336 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 . . . . . 0 C--O 1.207 -1.152 0 CA-C-O 120.368 0.128 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 152.35 50.45 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 169.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -65.08 145.73 55.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.303 170.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.93 15.88 5.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.26 116.14 46.03 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.5 95.43 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.28 1.987 . . . . 0.0 111.446 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.41 -24.0 1.37 Allowed Glycine 0 CA--C 1.552 2.383 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -169.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.53 178.77 6.73 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.547 1.139 . . . . 0.0 109.437 169.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -173.06 31.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.699 0.285 . . . . 0.0 111.222 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -72.57 149.85 43.65 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.61 127.08 45.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.271 0.558 . . . . 0.0 110.953 -175.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.657 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.4 m-85 -111.94 170.05 8.42 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.229 1.012 . . . . 0.0 110.465 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -117.52 -29.08 5.89 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.366 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 60.7 mmtt -106.74 134.03 50.51 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.706 0.289 . . . . 0.0 110.573 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.04 -51.44 67.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.601 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 p -67.96 -35.72 78.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.085 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -73.41 -29.44 62.59 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.213 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.657 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.35 -40.04 64.73 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 169.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.85 -39.5 85.42 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.857 -0.156 . . . . 0.0 110.586 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.1 mmt -59.98 -45.95 91.04 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.522 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -58.0 -40.14 80.01 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 p -58.92 -34.09 71.32 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.235 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -55.59 -38.45 69.44 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.93 -28.16 65.97 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.328 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -89.63 -20.73 23.35 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.487 1.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.846 -179.047 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 59.4 m-85 . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.602 0.239 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -132.8 154.64 50.09 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.382 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.55 0.959 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.56 172.697 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.393 0 CA-C-O 120.713 0.292 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -117.79 152.35 35.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 63.7 m-85 -138.63 139.42 38.53 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.0 t -88.74 3.72 49.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -141.15 138.06 33.17 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 110.639 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 p -59.65 -44.63 93.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.239 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -33.91 77.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.69 -46.12 83.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.596 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 31.9 tp -61.56 -46.77 88.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.763 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -57.93 -42.88 85.78 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.589 0.233 . . . . 0.0 110.776 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -61.85 -47.09 86.6 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.544 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 69.7 t60 -60.58 -47.59 85.53 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -53.32 -38.07 62.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -55.18 -33.09 62.71 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.019 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.89 -38.19 90.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.507 0.194 . . . . 0.0 111.142 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -81.29 -12.79 58.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.372 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 p -118.5 -7.9 10.56 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.68 -170.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.1 48.56 Favored Glycine 0 CA--C 1.552 2.345 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.405 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.44 125.42 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 117.145 0.473 . . . . 0.0 110.886 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.29 88.29 32.48 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.132 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 88.7 Cg_endo -84.8 -13.84 6.64 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.58 2.187 . . . . 0.0 113.262 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.472 ' HB3' HD13 ' A' ' 82' ' ' LEU . 88.6 m-85 -90.42 133.85 34.74 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -124.52 138.96 54.29 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.146 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.54 148.61 50.37 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.446 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.57 -4.33 51.11 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 -71.13 0.76 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -175.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -88.38 -4.02 58.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.547 0.213 . . . . 0.0 111.117 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 61.22 26.1 16.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.323 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.48 140.81 35.73 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 120.818 0.342 . . . . 0.0 110.71 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -93.29 145.69 24.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.068 0.461 . . . . 0.0 111.316 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.97 163.46 31.46 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.1 p -96.38 -10.62 27.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.822 -174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -139.65 135.72 33.56 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 p -60.07 -34.12 73.0 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.11 -41.04 95.29 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.835 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -63.77 -44.7 92.64 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.387 0.137 . . . . 0.0 110.817 171.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.3 tt -63.07 -47.55 82.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.536 0.208 . . . . 0.0 110.779 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.82 -34.25 76.91 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -67.74 -49.52 62.1 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.69 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.69 -32.61 73.73 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.804 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -53.95 -40.88 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.447 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -61.98 -23.01 66.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -60.02 -30.39 69.13 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.02 -23.98 22.46 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.2 p -97.1 -3.71 40.71 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.99 18.66 27.36 Favored Glycine 0 CA--C 1.551 2.307 0 C-N-CA 121.682 -0.294 . . . . 0.0 112.555 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -75.08 81.54 2.26 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.969 0.414 . . . . 0.0 111.155 -172.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -109.17 83.55 2.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.62 -26.43 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.555 2.17 . . . . 0.0 113.014 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -74.73 82.23 2.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.962 0.411 . . . . 0.0 110.877 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 16.6 m -87.96 145.1 26.18 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.447 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.2 t -70.54 161.27 30.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -126.82 7.75 6.78 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.989 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -68.89 147.36 97.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.777 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.99 26.4 0.33 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.157 2.571 . . . . 0.0 112.903 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.62 27.45 0.1 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.597 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 14.8 t -137.95 177.68 7.69 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.147 0.499 . . . . 0.0 111.152 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -175.53 27.75 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.038 178.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.04 152.75 21.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -128.58 148.18 50.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.023 0.44 . . . . 0.0 111.557 -176.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.84 163.77 25.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.67 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.37 0.25 33.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -133.22 139.61 47.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.166 0.508 . . . . 0.0 110.741 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.4 t -59.83 -41.85 92.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.65 -33.75 75.58 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.511 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.7 -42.42 97.16 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 97' ' ' CYS . 60.6 tp -64.13 -42.83 96.68 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.887 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.22 -43.47 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 120.885 0.374 . . . . 0.0 110.494 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -69.42 -33.92 73.7 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -67.17 -42.28 84.53 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.484 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.59 -33.39 66.15 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -16.72 64.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.453 0.168 . . . . 0.0 111.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -80.92 -19.31 44.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.494 0.188 . . . . 0.0 110.897 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 C--N 1.346 0.419 0 CA-C-O 120.711 0.291 . . . . 0.0 110.41 177.134 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.221 -0.424 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptm -136.43 154.67 50.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.796 0.332 . . . . 0.0 110.378 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 53.7 t -71.2 159.16 35.15 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.912 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.91 25.24 10.07 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.939 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 69.1 t80 -103.5 133.01 20.53 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.495 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 55.7 Cg_endo -71.45 1.57 5.41 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 C-N-CA 122.807 2.338 . . . . 0.0 113.546 -173.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.48 25.9 10.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 170.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -154.39 -87.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.592 0.357 . . . . 0.0 110.885 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.9 m120 46.84 42.12 11.55 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 -172.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -85.18 178.86 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.26 130.5 56.22 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.692 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.2 m-85 -113.7 162.91 15.69 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.878 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -115.84 -44.72 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 43.7 mmtm -85.67 120.16 26.8 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.23 -44.16 61.63 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-O 120.72 0.295 . . . . 0.0 110.474 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 p -68.21 -41.35 81.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.5 -29.16 66.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.861 0.362 . . . . 0.0 110.139 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.21 -41.98 63.16 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 169.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -58.46 -44.41 89.23 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.322 -0.236 . . . . 0.0 110.735 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.51 85.82 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.639 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.7 t60 -57.85 -38.31 75.44 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -59.08 -35.23 73.04 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -55.99 -38.62 70.69 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.001 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.81 -35.06 75.52 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.485 0.183 . . . . 0.0 111.015 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 26.3 m-70 -83.33 -26.41 30.59 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.218 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p . . . . . 0 N--CA 1.494 1.728 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.135 172.072 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.6 m-85 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.667 0.27 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.46 151.62 51.83 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.552 1.056 0 CA-C-O 121.081 0.467 . . . . 0.0 111.316 179.424 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 . . . . . 0 CA--C 1.513 -0.449 0 CA-C-O 120.894 0.378 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -108.08 153.22 23.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.6 m-85 -132.72 164.8 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.14 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -107.88 7.78 28.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.499 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -162.71 155.16 18.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.8 p -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.22 -42.73 88.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.625 0.25 . . . . 0.0 111.05 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.77 -43.24 89.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.576 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.83 -48.26 77.49 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -63.69 -40.09 95.93 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.505 0.193 . . . . 0.0 110.927 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -57.26 -47.43 81.42 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 76.8 t60 -60.7 -37.96 83.42 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.146 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -53.34 -38.38 63.19 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.407 0.146 . . . . 0.0 111.073 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -55.52 -33.23 63.58 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 122.483 -0.136 . . . . 0.0 111.104 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -64.65 -38.77 92.13 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.106 0.162 . . . . 0.0 111.179 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -82.59 -31.32 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.558 0.218 . . . . 0.0 111.131 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -82.6 -38.6 23.39 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.23 -1.95 43.7 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 121.436 -0.412 . . . . 0.0 112.63 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.47 144.43 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 121.109 0.48 . . . . 0.0 111.272 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -133.99 83.45 46.03 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.877 175.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.57 -15.34 17.43 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.593 2.195 . . . . 0.0 113.746 -169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.7 m-85 -92.24 101.06 13.55 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.71 135.22 47.52 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.773 0.32 . . . . 0.0 111.029 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.63 148.15 51.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.545 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -94.33 -2.77 51.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.76 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -69.82 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.7 p -83.58 -16.12 46.55 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.838 -0.165 . . . . 0.0 111.171 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 76.51 13.62 2.39 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.981 0.513 . . . . 0.0 111.41 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -78.97 141.86 37.15 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.63 146.96 24.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 111.42 -176.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -137.31 162.16 34.29 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.863 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -102.62 -3.01 27.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.839 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -138.75 129.0 25.63 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.03 0.443 . . . . 0.0 111.556 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 p -51.19 -43.92 61.45 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -62.24 -34.82 77.24 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -76.8 -35.16 57.81 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.159 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.3 tt -68.16 -44.65 75.5 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.67 -34.27 76.77 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.641 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.4 m -69.59 -49.39 54.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.623 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -62.6 -31.13 71.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -54.08 -40.68 67.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.903 0.481 . . . . 0.0 110.544 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -61.86 -22.9 65.92 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.138 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 m -57.25 -42.07 80.82 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -91.06 -18.78 24.01 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -98.6 -3.38 36.38 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.597 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.2 15.34 36.89 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.604 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.88 88.58 5.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.51 83.99 14.27 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.527 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.41 -25.7 2.48 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.55 2.167 . . . . 0.0 113.058 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -74.97 78.62 2.17 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.051 0.453 . . . . 0.0 110.851 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -80.77 146.1 31.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.454 ' HA ' HD11 ' A' ' 112' ' ' LEU . 20.8 t -70.56 161.32 30.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.114 0.483 . . . . 0.0 110.989 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -125.06 6.92 7.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.983 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -65.06 149.31 97.0 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.743 0.306 . . . . 0.0 110.459 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.52 12.58 0.51 Allowed 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 122.909 2.406 . . . . 0.0 113.316 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -150.28 24.11 0.82 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.113 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 46.8 t -138.6 151.35 47.18 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 121.139 0.495 . . . . 0.0 111.595 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -144.47 25.43 1.51 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.987 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -74.33 148.4 41.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.055 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -128.5 145.08 51.21 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.206 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.3 162.79 23.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.12 -0.72 43.84 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -135.58 141.96 45.23 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.214 0.531 . . . . 0.0 110.881 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -59.02 -45.25 91.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.885 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -67.38 -33.65 75.66 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.409 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.61 -41.1 94.09 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -63.76 -43.97 94.83 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.744 174.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.97 -47.36 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.133 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.13 -46.5 85.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.588 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.59 -49.81 69.53 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.799 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -57.2 -37.78 72.7 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.856 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -15.74 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.039 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.6 mtt -113.42 7.73 17.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.346 0.423 0 CA-C-O 120.646 0.26 . . . . 0.0 110.972 -173.489 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 24' ' ' LEU . 76.7 m-85 . . . . . 0 C--O 1.212 -0.893 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.43 151.03 49.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 169.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.3 t -69.55 166.56 18.68 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.522 171.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.28 14.21 0.59 Allowed 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 57.8 t80 -63.43 148.57 93.44 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 172.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 11' ' ' TYR . 97.4 Cg_exo -55.22 -10.23 2.91 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 122.744 2.296 . . . . 0.0 113.945 -174.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.2 10.86 8.21 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 121.608 -0.329 . . . . 0.0 112.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.5 t -143.17 168.0 20.79 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.247 0.546 . . . . 0.0 111.496 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.62 24.02 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -76.26 150.41 37.01 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -170.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -98.68 127.12 44.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.222 0.534 . . . . 0.0 111.533 -172.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 24' ' ' LEU . 50.0 m-85 -109.37 170.13 8.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.357 1.063 . . . . 0.0 110.218 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -115.67 -8.92 12.03 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.502 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.67 143.12 50.06 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.014 0.435 . . . . 0.0 111.477 -176.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.73 -56.64 17.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.794 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -67.89 -38.42 82.99 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.899 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -70.42 -29.94 66.68 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -73.69 -39.1 64.64 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.026 169.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.75 -38.56 85.6 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.193 -0.317 . . . . 0.0 110.426 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.31 -44.86 95.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -57.87 -41.32 82.24 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -59.1 -34.39 71.96 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.025 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -38.44 69.71 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -36.66 69.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.639 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -80.36 -20.75 43.41 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.797 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.482 1.14 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.009 175.195 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HB3' HD22 ' A' ' 54' ' ' LEU . 33.7 m-85 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.624 0.25 . . . . 0.0 111.569 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -88.61 136.28 33.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.864 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 CA--C 1.543 0.706 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 177.216 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 120.829 0.347 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -110.85 144.39 39.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.88 139.47 51.15 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.912 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 p -91.23 10.5 26.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.465 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -149.06 144.83 26.94 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.329 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -59.47 -44.44 93.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -34.04 74.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -72.12 -41.84 66.74 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.683 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 37' ' ' TYR . 60.5 tp -60.85 -45.38 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.54 -44.68 95.84 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.382 0.273 . . . . 0.0 111.183 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' NH1' HH11 ' A' ' 78' ' ' ARG . 39.7 ttp180 -59.08 -46.48 88.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 174.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.1 -37.49 82.93 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.32 -27.12 21.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 122.468 -0.145 . . . . 0.0 111.293 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.99 -33.06 62.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 122.466 -0.146 . . . . 0.0 110.965 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -68.0 -31.93 71.96 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 120.556 0.217 . . . . 0.0 111.051 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -87.72 -2.63 58.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.288 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 p -127.49 -2.65 6.15 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.442 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.94 57.74 Favored Glycine 0 CA--C 1.545 1.937 0 C-N-CA 121.649 -0.31 . . . . 0.0 113.449 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.84 140.9 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 117.099 0.45 . . . . 0.0 111.292 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -130.75 88.79 45.24 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.767 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 58.9 Cg_endo -76.63 -19.29 14.69 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.478 2.118 . . . . 0.0 113.531 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.566 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.9 m-85 -85.24 136.08 33.66 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -124.5 139.78 53.56 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.943 -0.117 . . . . 0.0 110.847 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.42 148.35 50.69 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.049 0.452 . . . . 0.0 110.403 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -2.76 58.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -76.48 0.57 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 -172.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.16 1.08 52.0 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 120.606 0.241 . . . . 0.0 111.411 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 59.11 22.87 11.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.48 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -72.19 134.4 45.65 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -95.18 144.91 25.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.073 0.463 . . . . 0.0 111.144 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.85 161.09 36.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.603 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 49.1 p -98.59 -9.59 24.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.72 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.517 HH11 ' NH1' ' A' ' 56' ' ' ARG . 37.1 mtm180 -137.6 138.56 39.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 p -57.09 -38.57 73.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.81 -42.2 88.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -67.3 -41.4 85.44 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.836 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -63.87 -47.18 81.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.474 0.178 . . . . 0.0 110.73 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.651 0.262 . . . . 0.0 110.655 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -66.2 -49.58 66.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.532 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -61.93 -34.87 76.88 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -54.22 -41.03 68.21 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -62.01 -22.96 66.13 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.951 -0.113 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -59.24 -46.2 89.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.338 0.255 . . . . 0.0 110.834 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -80.89 -18.66 46.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.737 0.303 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 m -91.88 -6.09 52.13 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.46 24.03 50.87 Favored Glycine 0 CA--C 1.545 1.941 0 C-N-CA 121.599 -0.334 . . . . 0.0 112.357 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -91.28 115.69 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.603 0.24 . . . . 0.0 111.016 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -125.15 83.42 60.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.173 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 91.4 Cg_endo -83.21 -17.87 6.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.624 2.216 . . . . 0.0 112.994 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.1 m-85 -85.54 77.39 9.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.799 0.333 . . . . 0.0 110.729 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 77.6 p -85.45 143.16 28.74 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.965 0.412 . . . . 0.0 110.928 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.9 t -70.08 143.19 52.51 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -107.06 6.71 29.22 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.146 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.72 150.74 90.23 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 120.75 0.309 . . . . 0.0 110.65 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.43 22.91 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.311 0 C-N-CA 122.978 2.452 . . . . 0.0 113.161 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.47 23.01 0.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.246 0.218 . . . . 0.0 110.997 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.6 t -146.65 158.29 43.88 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 120.988 0.423 . . . . 0.0 111.153 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -149.45 24.03 0.9 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.133 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 134.83 57.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.336 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 40.0 mttm -111.28 137.69 48.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.006 0.432 . . . . 0.0 111.465 -169.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -126.57 158.95 34.88 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.48 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.427 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.05 4.25 47.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.02 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -136.59 135.41 38.37 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.479 178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.3 p -58.46 -41.49 85.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.599 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.35 -33.76 75.9 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.771 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -61.29 -42.93 99.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.52 -40.01 88.93 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.791 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.14 -45.83 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 174.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.88 -47.03 86.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.344 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -54.46 -49.95 68.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.771 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -57.65 -38.09 74.48 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -15.66 63.62 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.139 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.4 mtt -113.0 4.62 16.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 110.978 -173.305 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 ptm -136.61 156.45 48.54 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.94 0.4 . . . . 0.0 111.651 169.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.9 t -68.1 160.08 29.63 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.343 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -105.91 -23.92 12.56 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.623 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.92 129.87 85.91 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.11 56.34 4.29 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.043 2.495 . . . . 0.0 112.747 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.47 -28.63 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t -84.91 -69.68 0.63 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.523 0.329 . . . . 0.0 110.401 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.26 40.1 1.11 Allowed 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.168 0.587 . . . . 0.0 111.62 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -78.16 155.65 30.32 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -102.8 132.15 49.18 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.105 0.479 . . . . 0.0 111.288 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.69 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.4 m-85 -118.53 169.48 9.75 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.909 -173.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -116.95 -51.96 2.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.186 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 44.5 mttp -79.29 113.24 17.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -48.64 -47.29 40.42 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.409 -175.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -68.21 -35.66 78.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.3 -32.9 73.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 120.744 -0.383 . . . . 0.0 109.988 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -71.62 -44.13 64.93 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.235 171.162 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -58.16 -38.52 76.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -41.68 87.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.723 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -57.95 -38.76 76.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.579 0.228 . . . . 0.0 110.593 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 t -59.12 -34.65 72.29 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.136 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' NH1' HG21 ' A' ' 32' ' ' THR . 3.6 tpp180 -55.6 -38.29 69.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -39.31 73.31 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.112 0.257 . . . . 0.0 110.857 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -79.69 -32.5 41.39 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.478 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' NH1' ' A' ' 29' ' ' ARG . 44.3 p . . . . . 0 N--CA 1.489 1.516 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.52 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.4 m-85 . . . . . 0 N--CA 1.478 0.955 0 CA-C-O 120.622 0.248 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.54 152.26 51.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.545 0.785 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.966 177.806 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.727 0.299 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -95.73 151.12 19.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.0 m-85 -134.59 164.76 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.961 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -109.54 5.44 23.17 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -151.28 157.21 42.25 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 172.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -59.33 -41.45 89.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.69 -36.57 80.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.342 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.92 -44.29 93.35 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.478 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -65.83 -45.91 80.52 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.983 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.05 -39.25 89.09 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.808 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -47.37 86.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.312 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 61.2 t60 -60.78 -37.94 83.59 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.157 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -53.24 -37.92 62.51 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.932 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -55.3 -33.18 63.05 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 122.489 -0.132 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.64 -36.99 80.03 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 120.495 0.188 . . . . 0.0 111.173 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -89.1 -30.33 18.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.265 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -90.3 -19.37 24.15 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.229 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.79 2.75 88.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 121.774 -0.251 . . . . 0.0 113.016 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 m -71.62 145.52 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.084 0.469 . . . . 0.0 111.01 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -132.37 83.89 53.46 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.269 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -65.5 -20.06 60.71 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.793 2.329 . . . . 0.0 113.456 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.766 ' HB3' HD13 ' A' ' 82' ' ' LEU . 42.7 m-85 -102.15 131.11 48.86 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-O 120.471 0.177 . . . . 0.0 110.58 -175.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -124.29 141.55 51.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.563 0.221 . . . . 0.0 110.778 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.26 148.43 50.22 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 3.11 52.67 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.865 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.35 -75.46 0.59 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.528 -173.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.92 2.99 54.42 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.394 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 63.01 19.97 11.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 122.653 0.381 . . . . 0.0 111.605 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.83 125.12 24.9 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.432 0.293 . . . . 0.0 110.688 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -87.87 148.98 24.39 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.0 0.429 . . . . 0.0 111.062 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -143.98 155.89 44.2 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.197 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -95.74 -1.61 49.51 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.535 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -135.3 135.91 41.18 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.855 0.359 . . . . 0.0 110.803 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -62.16 -42.42 99.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.81 -36.1 82.79 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.278 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -67.25 -44.38 79.55 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -64.39 -47.5 78.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.509 0.195 . . . . 0.0 110.8 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -61.03 -34.29 74.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.328 0.251 . . . . 0.0 110.574 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.2 m -69.78 -49.67 50.62 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.755 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -61.54 -33.57 74.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.764 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.12 -41.11 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.674 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.412 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 59.3 mtt180 -62.63 -23.13 66.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.609 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -62.23 -26.87 68.61 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 120.435 0.16 . . . . 0.0 110.666 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -94.76 -27.68 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.34 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 21.3 p -91.79 -6.24 52.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.94 9.09 45.33 Favored Glycine 0 CA--C 1.551 2.289 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.796 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.94 94.19 0.83 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -118.07 76.65 11.85 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.56 -20.34 12.31 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.543 2.162 . . . . 0.0 112.815 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.1 74.39 8.1 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.069 0.461 . . . . 0.0 110.656 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -78.99 145.92 33.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.617 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.423 ' HA ' HD11 ' A' ' 112' ' ' LEU . 6.0 t -71.72 120.02 16.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -88.42 6.96 34.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.429 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -63.27 144.79 97.39 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 120.658 0.266 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.72 30.12 0.35 Allowed 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 123.089 2.526 . . . . 0.0 112.681 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -163.73 22.05 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.926 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.6 t -141.15 172.33 12.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.151 0.5 . . . . 0.0 111.126 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.46 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.3 tp-100 -165.95 24.83 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -75.81 150.02 37.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -128.48 142.16 51.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.043 -172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -129.89 159.65 35.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.812 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.98 0.95 42.09 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.085 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -133.72 140.71 47.17 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.182 0.515 . . . . 0.0 110.813 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 p -59.9 -44.5 94.22 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.047 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -67.4 -33.71 75.76 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.447 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.68 -41.85 95.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.7 tp -65.58 -41.83 92.42 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.997 175.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.03 -46.47 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-O 120.901 0.382 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.46 -46.63 88.23 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.487 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.95 -44.3 94.5 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.022 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.66 -33.4 66.34 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.784 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -16.34 63.81 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-N 116.974 -0.103 . . . . 0.0 111.183 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -81.67 -12.58 58.61 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.499 0.19 . . . . 0.0 111.028 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.343 176.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 . . . . . 0 C--O 1.216 -0.682 0 CA-C-O 120.573 0.225 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 ptm -136.57 146.12 45.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 168.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.59 157.98 25.54 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.508 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.68 16.5 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -79.4 134.61 58.23 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 120.669 0.271 . . . . 0.0 110.885 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.66 152.21 82.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.396 2.064 . . . . 0.0 111.885 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.3 -7.13 54.78 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.225 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.6 t -128.93 -87.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 122.53 0.332 . . . . 0.0 110.384 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.8 m120 51.14 26.61 2.95 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.883 0.473 . . . . 0.0 111.584 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.32 159.26 32.65 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 120.844 0.354 . . . . 0.0 111.036 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -98.74 134.64 41.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.416 -171.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 89.7 m-85 -119.91 165.47 14.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.626 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -132.64 5.79 4.01 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.853 -174.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 71.8 mttt -143.74 98.84 3.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.272 0.229 . . . . 0.0 110.604 178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.11 -42.22 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.656 -170.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.65 77.37 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 120.97 0.414 . . . . 0.0 112.082 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -59.41 -45.18 92.24 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -62.13 -34.19 75.9 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.47 171.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.26 -47.2 84.36 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.096 -0.377 . . . . 0.0 110.261 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.48 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -57.98 -41.07 82.18 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 120.705 0.288 . . . . 0.0 110.674 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 p -59.18 -35.13 73.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.591 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 ttm105 -55.94 -38.55 70.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -56.57 -36.15 68.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.048 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -89.67 -28.72 19.27 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 119.469 -0.3 . . . . 0.0 111.752 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p . . . . . 0 N--CA 1.507 2.385 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.667 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.7 m-85 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -129.13 157.89 40.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 121.184 0.516 . . . . 0.0 111.12 -175.304 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 . . . . . 0 N--CA 1.466 0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.32 151.33 43.5 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.615 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -136.98 139.4 41.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 -175.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -84.0 1.69 42.52 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.714 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -146.3 147.03 30.95 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.972 0.415 . . . . 0.0 111.005 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 t -59.36 -41.83 90.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.3 -37.21 86.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.335 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.494 HE22 ' NH1' ' A' ' 56' ' ' ARG . 46.9 tp60 -69.14 -37.46 78.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 120.633 0.254 . . . . 0.0 110.599 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -67.22 -40.87 86.44 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -64.55 -36.4 84.09 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.471 0.177 . . . . 0.0 110.778 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.494 ' NH1' HE22 ' A' ' 53' ' ' GLN . 22.6 ttm180 -62.31 -47.72 83.04 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 171.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.2 t60 -60.76 -38.39 85.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.302 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -53.3 -38.46 63.17 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.147 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -33.3 71.96 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 122.456 -0.152 . . . . 0.0 110.929 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.17 -31.65 65.62 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.468 0.175 . . . . 0.0 111.043 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -102.6 -2.7 27.9 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -132.08 -9.69 3.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.69 -107.32 2.14 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.5 t 65.81 -68.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 123.348 0.659 . . . . 0.0 111.696 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 45.67 72.92 1.08 Allowed Pre-proline 0 N--CA 1.488 1.455 0 C-N-CA 122.891 0.476 . . . . 0.0 110.682 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.82 -17.78 32.5 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.853 2.368 . . . . 0.0 113.692 -169.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 92.5 m-85 -83.53 124.28 30.59 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -124.29 134.16 53.28 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 122.326 -0.234 . . . . 0.0 110.487 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.76 124.45 21.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.08 0.467 . . . . 0.0 110.576 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -5.05 43.02 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.533 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -48.05 7.23 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.487 0.184 . . . . 0.0 110.588 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 11.4 p -115.51 -79.46 0.59 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 167.12 4.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.797 1.239 . . . . 0.0 110.109 -178.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.75 110.27 0.77 Allowed 'General case' 0 C--N 1.349 0.579 0 C-N-CA 122.818 0.447 . . . . 0.0 110.666 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -87.72 139.09 30.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.162 0.506 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -132.93 158.81 41.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.318 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 t -95.28 -4.32 45.85 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.422 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -138.09 141.12 40.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 p -62.35 -40.06 95.16 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -60.93 -37.49 82.51 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.304 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -69.34 -44.46 71.57 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 120.436 0.16 . . . . 0.0 110.644 172.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.1 tt -64.77 -44.83 88.77 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.424 0.154 . . . . 0.0 110.942 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -65.92 -34.43 78.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.564 0.221 . . . . 0.0 110.569 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 m -63.6 -49.36 73.66 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.484 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.434 ' O ' ' HB ' ' A' ' 88' ' ' THR . 72.0 t60 -62.12 -36.01 80.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.3 m -57.99 -41.7 83.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.501 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -67.6 -23.81 65.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 122.429 -0.169 . . . . 0.0 110.828 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 99.8 m -71.89 -30.49 65.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.793 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -84.4 -24.6 29.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.656 0.265 . . . . 0.0 110.566 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -91.72 -6.1 52.53 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.65 17.39 53.83 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.172 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -79.06 93.02 5.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.597 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -118.06 79.73 14.43 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.641 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.0 -19.15 8.46 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.746 2.297 . . . . 0.0 113.181 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -78.53 77.8 5.01 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 0.0 110.729 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -78.79 145.87 34.1 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.28 161.1 31.0 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.551 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -117.37 -3.47 11.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.994 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -69.3 127.02 93.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.48 -14.2 36.59 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.563 2.175 . . . . 0.0 113.018 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -101.75 18.66 19.88 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.355 0.262 . . . . 0.0 111.151 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.33 -86.42 0.2 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.276 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 61.74 39.14 14.47 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.794 0.438 . . . . 0.0 111.379 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 160.58 29.82 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 170.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -124.31 140.37 53.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -128.89 161.02 30.82 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.672 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.44 0.61 40.06 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.055 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -135.86 139.18 43.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.151 0.5 . . . . 0.0 110.897 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.8 t -59.36 -42.89 92.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.987 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -67.39 -33.8 75.94 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.66 -43.28 97.83 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.73 -42.62 97.86 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.858 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.17 -47.58 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 120.681 0.277 . . . . 0.0 110.401 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -62.37 -46.89 86.59 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.259 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -55.37 -45.3 76.56 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.132 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -59.09 -33.57 70.98 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.546 0.212 . . . . 0.0 111.019 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.57 -15.66 62.28 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 122.413 -0.179 . . . . 0.0 111.107 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 46.1 mtt -80.22 -7.8 59.15 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.369 0.128 . . . . 0.0 111.089 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.349 0.55 0 CA-C-O 120.775 0.321 . . . . 0.0 110.464 176.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 . . . . . 0 C--O 1.214 -0.796 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.9 mtp -136.45 150.3 48.66 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 121.997 -0.439 . . . . 0.0 110.011 168.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -71.05 158.36 36.63 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 -28.24 11.35 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.21 138.77 73.56 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.119 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.19 151.82 83.78 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.475 2.117 . . . . 0.0 112.19 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.91 -26.65 2.04 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -96.48 -88.53 0.28 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.426 0.291 . . . . 0.0 110.471 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m120 46.42 38.66 5.58 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -86.72 164.07 16.96 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.55 148.27 26.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.27 0.557 . . . . 0.0 111.646 -172.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.764 ' CD2' HD23 ' A' ' 24' ' ' LEU . 98.2 m-85 -135.41 160.47 38.36 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.579 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.57 -50.72 2.61 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -77.17 123.89 27.05 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.635 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.48 -47.0 66.8 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.438 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 p -68.07 -36.07 79.23 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -34.93 69.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -69.08 -32.28 71.62 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.998 169.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.57 -40.94 93.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 122.272 -0.267 . . . . 0.0 110.645 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -42.58 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 172.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.94 -45.03 87.22 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -59.18 -35.0 72.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.09 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -55.71 -38.17 69.37 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.543 0.211 . . . . 0.0 110.697 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.23 -38.77 71.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -87.21 -33.97 19.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.551 0.215 . . . . 0.0 110.877 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.873 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.926 171.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.812 0.339 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.59 155.72 48.18 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.971 169.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 t . . . . . 0 CA--C 1.542 0.636 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -178.176 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 . . . . . 0 CA--C 1.514 -0.417 0 N-CA-C 110.14 -0.318 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.03 148.94 23.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -174.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -133.66 161.66 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.571 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 p -108.12 7.26 27.51 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -158.23 156.83 31.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.237 0.541 . . . . 0.0 111.669 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -58.67 -44.48 90.22 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.022 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.85 -34.15 76.14 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.251 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.88 -46.23 88.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.683 0.278 . . . . 0.0 110.462 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.19 -45.58 84.23 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.08 -37.97 89.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.53 0.205 . . . . 0.0 110.853 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -61.2 -45.78 93.18 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.298 172.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.429 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 64.5 t60 -60.66 -39.56 88.83 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.875 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.32 -37.84 62.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.125 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -55.17 -33.35 62.91 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 122.291 -0.255 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -66.69 -38.42 86.75 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.11 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -82.26 -31.31 30.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.591 0.234 . . . . 0.0 111.083 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -79.01 -49.74 12.21 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.772 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.22 -3.39 25.3 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -72.74 138.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.074 0.464 . . . . 0.0 111.424 -173.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -138.78 80.85 24.14 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.301 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.48 -19.82 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 122.654 2.236 . . . . 0.0 113.279 -171.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.1 m-85 -83.84 92.76 7.84 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.345 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -98.91 135.46 40.3 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.62 148.15 51.49 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.464 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -98.47 8.15 45.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.56 -59.8 1.97 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 29.5 p -99.56 -22.15 15.59 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.281 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 91.26 6.18 0.08 Allowed 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.801 0.841 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -61.68 128.09 34.58 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.739 0.304 . . . . 0.0 110.62 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.57 138.4 36.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.944 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -130.28 163.12 27.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -105.63 3.12 28.82 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.21 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.49 122.04 17.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 -175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.2 p -51.92 -42.08 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.915 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.37 -34.88 74.51 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.393 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -73.42 -39.63 64.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.807 175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -68.11 -42.72 79.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.425 0.155 . . . . 0.0 110.925 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.38 -39.8 95.49 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.695 0.283 . . . . 0.0 110.416 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 m -62.93 -49.5 74.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.559 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -62.46 -34.87 77.67 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.074 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -54.31 -41.35 68.86 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.676 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -65.06 -22.82 67.03 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.376 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.1 p -68.29 -30.16 69.1 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.908 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -93.66 -20.54 20.08 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.814 0.34 . . . . 0.0 110.747 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 m -97.56 4.85 50.19 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.8 26.46 5.64 Favored Glycine 0 CA--C 1.547 2.043 0 C-N-CA 121.437 -0.411 . . . . 0.0 112.613 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.26 92.21 9.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.892 0.377 . . . . 0.0 110.916 -169.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -113.66 87.43 12.01 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -87.17 -21.98 1.85 Allowed 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 122.65 2.233 . . . . 0.0 112.985 -176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.7 m-85 -79.6 79.37 6.08 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -175.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 t -81.75 143.01 32.12 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.6 t -70.48 161.21 30.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.3 0.571 . . . . 0.0 111.149 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -131.89 14.5 4.8 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.754 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.74 163.76 52.2 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -48.34 107.23 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.006 2.471 . . . . 0.0 112.944 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t 65.66 16.84 10.68 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.158 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.6 t -88.75 164.56 15.21 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.174 0.511 . . . . 0.0 110.933 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.403 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 5.0 tp-100 -165.43 29.28 0.06 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.425 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -71.16 128.2 35.11 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.146 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -105.5 142.26 35.56 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -171.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.05 159.37 34.37 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.653 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.66 4.03 42.92 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -138.73 136.21 35.53 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 110.406 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.415 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.4 p -58.22 -42.99 87.47 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.8 -177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -67.21 -33.52 75.54 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.676 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -60.53 -41.24 94.05 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 57.4 tp -63.07 -45.4 92.34 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.599 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.91 -43.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.406 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.22 -46.54 88.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -54.44 -49.72 69.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.664 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -56.73 -39.1 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.777 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -17.31 63.29 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 120.569 0.223 . . . . 0.0 111.115 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.7 mtp -108.07 6.16 26.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 122.478 0.311 . . . . 0.0 110.935 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 120.733 0.302 . . . . 0.0 111.047 -172.741 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -136.63 154.15 50.73 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.753 0.311 . . . . 0.0 110.438 168.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 43.7 t -71.02 166.52 21.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.073 169.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -117.92 -15.71 9.96 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.143 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -65.19 128.74 94.06 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.545 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.23 -38.25 51.0 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.942 2.428 . . . . 0.0 113.188 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.47 9.48 49.32 Favored Glycine 0 CA--C 1.548 2.113 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.906 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.01 -86.53 0.21 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.691 0.246 . . . . 0.0 110.845 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.94 21.5 10.53 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.654 0.382 . . . . 0.0 111.154 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -78.95 162.96 25.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -173.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -98.83 131.04 45.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.34 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.701 ' CD1' HD23 ' A' ' 24' ' ' LEU . 79.8 m-85 -116.65 159.77 21.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.547 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -118.91 -10.43 9.89 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.771 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 77.9 mttt -124.97 134.27 52.68 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.64 -50.44 73.48 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 p -67.94 -35.81 79.05 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.33 -40.61 81.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.63 -39.01 80.94 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.427 171.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -45.32 88.07 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.266 -0.271 . . . . 0.0 110.41 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.33 -41.13 96.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -57.97 -38.86 76.82 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.596 0.236 . . . . 0.0 110.473 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -59.2 -35.21 73.2 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -56.02 -38.36 70.42 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.874 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -38.97 77.21 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.989 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -80.0 -26.91 39.68 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.284 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.483 1.192 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.396 169.732 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.657 ' HB3' HD22 ' A' ' 54' ' ' LEU . 96.4 m-85 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.628 0.252 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.63 156.22 47.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.148 169.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 N--CA 1.466 0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -94.24 151.61 19.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.1 m-85 -135.55 162.51 32.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.17 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -103.2 0.44 31.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.643 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -155.61 160.55 40.53 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.886 0.374 . . . . 0.0 110.97 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -44.56 96.28 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.45 -33.95 77.07 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -70.49 -40.96 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.703 0.287 . . . . 0.0 110.769 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 37' ' ' TYR . 25.2 tp -65.26 -41.1 94.61 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 172.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.61 -36.87 85.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.543 0.211 . . . . 0.0 111.067 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.63 -47.44 85.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.5 t60 -60.9 -37.4 82.11 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.256 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -53.35 -38.07 62.96 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.866 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -55.35 -33.23 63.21 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.364 0.126 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.11 -33.57 76.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.176 0.191 . . . . 0.0 111.197 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -83.15 -38.44 22.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.732 0.301 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -86.77 -19.52 28.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.467 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.81 2.4 70.37 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 121.576 -0.345 . . . . 0.0 112.467 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.19 108.34 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.915 0.388 . . . . 0.0 110.795 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -112.72 90.38 15.01 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.85 -20.57 5.33 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.533 2.155 . . . . 0.0 113.367 -169.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -81.37 80.25 7.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.73 133.94 34.79 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.039 0.447 . . . . 0.0 111.25 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.69 124.62 22.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.261 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -10.05 6.16 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.79 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -64.83 1.1 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.19 0.196 . . . . 0.0 110.975 -173.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -106.01 2.66 27.54 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.456 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 64.56 16.62 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.85 0.46 . . . . 0.0 111.816 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -65.65 121.94 16.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.67 0.271 . . . . 0.0 110.531 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.87 123.82 33.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.946 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -114.1 162.47 16.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.448 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 p -99.42 -10.21 22.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -135.15 147.27 49.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -68.67 -39.19 80.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -63.17 -34.97 78.78 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -76.1 -38.43 56.95 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.849 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.7 tt -66.13 -41.76 90.04 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.539 0.209 . . . . 0.0 110.752 175.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -65.86 -36.27 82.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.747 0.308 . . . . 0.0 110.603 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -66.61 -49.27 66.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.632 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -61.96 -34.92 77.01 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -57.38 -41.48 80.29 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.604 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -65.8 -23.44 66.7 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.466 -0.146 . . . . 0.0 110.865 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -71.6 -27.7 63.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.911 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -91.4 -18.63 23.94 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.652 0.263 . . . . 0.0 110.843 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -98.49 -6.45 30.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.16 13.26 53.0 Favored Glycine 0 CA--C 1.547 2.078 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.442 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.96 96.98 5.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -122.95 84.76 50.5 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.396 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -85.57 -19.45 3.5 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.721 2.281 . . . . 0.0 113.155 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -81.8 80.37 8.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 -175.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 89.0 p -82.94 143.43 30.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.353 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.2 t -70.35 160.48 32.2 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.487 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 -134.8 13.35 3.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.552 -174.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -63.37 155.43 74.78 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 19.37 0.22 Allowed 'Trans proline' 0 CA--C 1.554 1.483 0 C-N-CA 122.926 2.418 . . . . 0.0 113.332 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 m -163.33 26.34 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 122.214 0.206 . . . . 0.0 110.939 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -147.97 160.59 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.174 0.512 . . . . 0.0 111.544 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -155.23 25.54 0.42 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.069 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -63.65 138.88 58.68 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.487 -175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 79.5 mttt -109.64 143.23 39.66 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.988 0.423 . . . . 0.0 111.438 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.79 162.63 25.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.385 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.5 3.9 43.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -136.71 136.76 39.29 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 110.617 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 23.7 p -58.0 -45.27 87.08 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.749 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.16 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.441 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.6 -41.63 95.13 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.98 -44.49 89.15 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.86 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.03 -43.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.156 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -62.42 -46.87 86.61 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.384 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -55.03 -49.84 70.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.79 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -56.83 -39.27 73.91 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.015 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -72.77 -15.67 61.65 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.567 0.222 . . . . 0.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtt -105.31 3.86 30.34 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.945 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.345 0.403 0 CA-C-O 120.673 0.273 . . . . 0.0 110.947 -172.56 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 65.4 m-85 . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.366 0.127 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.534 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -80.52 142.93 33.7 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 118.67 -1.212 . . . . 0.0 111.96 -173.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 52.8 t -64.11 167.74 6.15 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.526 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.41 -8.14 10.09 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.17 140.39 90.68 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.775 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.71 149.28 90.62 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.426 2.084 . . . . 0.0 112.028 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.9 -31.24 2.27 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.332 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -96.53 -94.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 122.356 0.262 . . . . 0.0 110.685 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 57.22 18.64 4.34 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 122.969 0.507 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.16 152.57 42.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.15 0.18 . . . . 0.0 110.587 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 36.4 mtm180 -98.57 127.04 44.35 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 -171.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.678 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.3 m-85 -104.3 170.06 8.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.761 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -120.46 -5.41 9.82 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.294 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 45.5 mttm -138.02 147.53 44.25 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.032 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.4 tt -75.06 -48.49 23.69 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.682 -175.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 p -68.05 -36.01 79.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.049 0.452 . . . . 0.0 111.805 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.91 -43.64 87.53 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -63.55 -32.31 73.73 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.641 170.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.7 -38.66 91.94 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.003 -0.435 . . . . 0.0 110.645 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.63 -42.2 95.64 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.14 -39.94 80.05 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.834 0.349 . . . . 0.0 110.427 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 m -59.31 -26.78 65.28 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.055 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.44 68.8 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.341 0.115 . . . . 0.0 110.747 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -56.41 -40.71 75.13 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.682 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.63 -4.72 57.67 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.63 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.346 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.701 ' HB3' HD22 ' A' ' 54' ' ' LEU . 79.6 m-85 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 120.79 0.328 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -132.68 154.51 50.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 19.6 t . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.921 0.391 . . . . 0.0 110.801 177.309 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 C--O 1.234 0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -130.0 155.23 46.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.353 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 72.4 m-85 -136.3 164.84 27.16 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -173.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -103.14 -7.84 20.96 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.489 -175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm-85 -148.82 157.56 43.53 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -43.41 97.57 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.13 -35.22 79.91 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.363 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.514 HE22 ' NH1' ' A' ' 56' ' ' ARG . 45.4 tp60 -69.16 -41.0 77.83 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.759 0.314 . . . . 0.0 110.525 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 37' ' ' TYR . 10.9 tp -63.56 -44.29 94.56 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.661 173.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -60.66 -43.04 98.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.791 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.514 ' NH1' HE22 ' A' ' 53' ' ' GLN . 19.6 ttm180 -58.25 -47.43 83.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.628 0.252 . . . . 0.0 110.395 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.71 -41.67 95.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.775 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -53.48 -38.22 63.44 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.27 63.26 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 122.218 -0.301 . . . . 0.0 110.933 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.14 -36.2 76.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.191 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -85.81 -31.75 22.14 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.564 0.221 . . . . 0.0 111.235 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -97.23 -11.88 23.65 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.91 8.06 57.04 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 121.621 -0.323 . . . . 0.0 112.705 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.41 136.54 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.055 0.455 . . . . 0.0 110.961 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -132.59 90.76 32.23 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.12 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 94.9 Cg_endo -85.53 -12.89 6.3 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.593 2.195 . . . . 0.0 112.883 -173.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.658 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 m-85 -95.25 123.89 39.0 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.06 140.0 53.39 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.603 0.239 . . . . 0.0 110.798 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.68 148.22 51.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.052 0.453 . . . . 0.0 110.609 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 10.51 37.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.195 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -58.84 1.26 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.839 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.8 p -105.37 0.48 26.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.154 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.07 22.47 11.68 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.734 0.414 . . . . 0.0 111.774 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -75.83 133.83 40.53 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.725 0.298 . . . . 0.0 110.543 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -96.62 147.81 23.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.188 0.518 . . . . 0.0 111.479 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -142.54 161.83 37.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.489 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 52.3 m -97.22 -2.04 43.65 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.558 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -137.08 134.71 36.78 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -63.65 -42.77 98.07 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.817 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.45 -42.17 91.37 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -62.79 -44.77 95.3 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.426 -0.171 . . . . 0.0 110.881 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -63.27 -45.53 91.06 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.48 0.181 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.51 -35.71 80.24 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.712 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.2 m -67.57 -49.76 61.67 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.437 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.68 -33.09 73.38 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.008 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -53.94 -40.43 66.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.815 0.446 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HD3' ' HB1' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -61.52 -22.63 65.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.657 -175.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 m -54.34 -38.66 66.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.557 0.343 . . . . 0.0 111.213 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -78.23 -22.31 48.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.743 0.306 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -91.71 -6.23 52.34 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 21.23 36.42 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 121.567 -0.349 . . . . 0.0 112.59 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 149.67 43.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -172.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -155.16 78.52 4.73 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.202 171.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.56 -20.26 10.91 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.512 2.141 . . . . 0.0 113.123 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.8 m-85 -83.38 75.97 9.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -175.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 37.7 t -78.9 144.71 34.63 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 175.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.419 ' HA ' HD11 ' A' ' 112' ' ' LEU . 47.7 t -70.05 151.87 45.02 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -118.39 7.04 11.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.964 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -65.5 150.05 96.44 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 120.667 0.27 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.86 24.85 0.29 Allowed 'Trans proline' 0 CA--C 1.552 1.407 0 C-N-CA 122.893 2.395 . . . . 0.0 113.002 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -163.41 21.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.909 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 20.1 t -148.44 173.81 12.71 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.2 13.78 0.05 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.662 175.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 130.82 38.87 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 120.808 0.337 . . . . 0.0 110.678 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 60.0 mtpt -98.35 137.4 37.11 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.111 -172.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -129.13 167.27 17.82 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.974 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.494 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -101.05 -11.84 19.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.405 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -130.83 143.61 50.86 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.129 0.49 . . . . 0.0 110.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.5 p -59.3 -41.42 88.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.56 -33.74 75.64 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -60.69 -42.53 97.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -66.19 -40.34 90.36 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.917 175.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.12 -47.65 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.182 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.2 -46.79 87.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -58.09 -47.84 81.99 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.931 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -56.63 -33.66 66.52 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.901 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -19.52 65.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 120.446 0.165 . . . . 0.0 111.117 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.1 mtt -77.63 -31.22 52.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.598 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.346 0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 110.416 177.058 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 120.404 0.145 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -136.39 151.26 49.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.016 0.436 . . . . 0.0 111.226 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.2 t -69.72 172.48 7.47 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.012 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -143.45 6.62 1.48 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.375 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -67.27 137.33 93.94 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.21 0.6 3.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.726 2.284 . . . . 0.0 113.586 -169.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.28 3.65 23.68 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.525 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -135.22 -89.27 0.34 Allowed 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.706 0.253 . . . . 0.0 111.195 -172.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.26 38.71 30.79 Favored 'General case' 0 CA--C 1.562 1.428 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.72 158.88 19.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -100.62 127.43 47.02 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.111 0.482 . . . . 0.0 111.304 -172.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.706 ' CD1' HD23 ' A' ' 24' ' ' LEU . 74.7 m-85 -111.87 169.98 8.46 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.216 1.006 . . . . 0.0 110.566 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -123.79 -25.22 4.32 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.498 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 10.2 mptt -109.09 129.08 55.47 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.289 0.235 . . . . 0.0 110.444 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.0 tp -52.68 -50.42 63.32 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 p -68.23 -37.68 81.09 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.17 -29.53 64.1 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.835 0.35 . . . . 0.0 110.187 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.41 -40.99 63.84 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.858 169.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.25 -43.38 87.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.7 mmt -59.14 -46.29 88.74 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.81 -42.8 84.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -58.93 -31.21 68.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.236 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -55.66 -38.32 69.44 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 121.359 -0.136 . . . . 0.0 110.683 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.47 -32.95 65.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -89.51 -20.41 23.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 122.707 0.403 . . . . 0.0 111.757 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 p . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.976 -172.762 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -132.85 157.91 43.86 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.775 0.322 . . . . 0.0 110.561 170.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.79 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.29 169.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -117.71 153.83 32.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.637 -174.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -137.72 164.68 28.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.947 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -100.92 -21.47 15.07 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' NH2' HE21 ' A' ' 53' ' ' GLN . 94.8 mtm-85 -131.3 150.18 52.26 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.996 0.427 . . . . 0.0 110.747 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -58.19 -37.74 75.36 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -67.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.289 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.454 HE21 ' NH2' ' A' ' 50' ' ' ARG . 80.4 mt-30 -65.63 -46.41 79.35 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.697 0.284 . . . . 0.0 110.354 174.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.34 -40.35 96.09 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.794 174.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.63 -42.43 91.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.593 0.357 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' HH11 ' A' ' 78' ' ' ARG . 6.4 mtp180 -56.98 -47.5 80.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.8 t60 -60.94 -36.6 79.78 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.458 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -53.17 -38.12 62.5 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 120.552 0.215 . . . . 0.0 110.817 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -55.27 -33.06 62.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.477 0.18 . . . . 0.0 111.117 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.527 ' HD3' ' N ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -65.52 -31.53 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.59 0.233 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -95.63 -4.42 44.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -134.65 -6.21 2.5 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -169.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.61 1.2 Allowed Glycine 0 CA--C 1.538 1.5 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.9 t 67.84 -67.52 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 123.456 0.702 . . . . 0.0 111.685 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt 46.55 73.8 0.92 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 122.692 0.397 . . . . 0.0 110.736 -170.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.18 -17.92 30.95 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.769 2.313 . . . . 0.0 113.615 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.4 m-85 -83.78 132.7 34.81 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -124.55 139.88 53.47 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 122.365 -0.209 . . . . 0.0 110.9 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.44 148.62 50.15 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.038 0.447 . . . . 0.0 110.298 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -90.09 2.45 55.24 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.604 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.57 -76.76 0.57 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.447 -173.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.7 p -87.3 -2.17 58.43 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 122.477 0.311 . . . . 0.0 111.367 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 62.38 24.42 14.54 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.79 0.436 . . . . 0.0 111.487 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.25 126.96 31.21 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 173.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -89.77 141.82 28.26 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.067 0.461 . . . . 0.0 111.175 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -131.88 161.66 32.49 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.345 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.5 p -99.36 -8.16 25.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.529 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.421 HH11 ' NH1' ' A' ' 56' ' ' ARG . 39.4 mtm180 -138.14 142.89 40.12 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.012 0.435 . . . . 0.0 110.921 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -63.82 -35.91 82.16 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.788 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.27 -40.95 96.0 Favored 'General case' 0 CA--C 1.568 1.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.926 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -65.08 -46.29 81.71 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 122.51 -0.119 . . . . 0.0 110.826 172.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -61.55 -45.78 92.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.518 0.199 . . . . 0.0 110.841 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -65.65 -34.57 78.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.755 0.312 . . . . 0.0 110.675 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -65.5 -49.42 69.08 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.634 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.79 -38.15 84.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.8 m -54.21 -41.2 68.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.806 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -62.34 -23.01 66.54 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.924 -0.125 . . . . 0.0 111.176 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 p -67.78 -37.52 82.16 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.391 0.139 . . . . 0.0 110.926 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -80.21 -23.02 41.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.482 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.77 -5.93 52.68 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.68 22.21 52.53 Favored Glycine 0 CA--C 1.545 1.932 0 C-N-CA 121.62 -0.324 . . . . 0.0 112.343 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.37 97.74 9.65 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.87 0.367 . . . . 0.0 110.77 -173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -122.59 83.78 48.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.518 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -85.88 -25.68 1.42 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.709 2.272 . . . . 0.0 113.048 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -73.4 82.3 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.879 0.371 . . . . 0.0 110.779 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -87.46 139.76 30.22 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.19 134.67 48.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -103.2 10.33 37.8 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.124 -174.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -64.84 151.03 93.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 120.782 0.325 . . . . 0.0 110.69 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.28 9.44 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 122.857 2.371 . . . . 0.0 113.151 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -145.25 18.85 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 122.212 0.205 . . . . 0.0 111.19 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -147.1 157.15 43.51 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -148.49 23.21 1.02 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.076 170.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.8 mtmm -67.48 143.89 55.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -176.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -119.18 140.17 50.61 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.003 0.43 . . . . 0.0 111.453 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.49 162.67 23.48 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.533 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.85 0.28 43.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.242 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -135.96 142.83 44.61 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.246 0.546 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.676 ' O ' HG13 ' A' ' 113' ' ' VAL . 28.6 p -61.23 -43.69 98.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.954 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -67.44 -33.51 75.3 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 122.171 0.189 . . . . 0.0 111.43 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.6 -41.21 94.31 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.022 -0.424 . . . . 0.0 109.936 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.38 -44.15 75.8 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.08 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 109' ' ' SER . 15.7 m -58.25 -43.2 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 120.86 0.362 . . . . 0.0 110.207 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.72 -47.06 85.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 71.7 t60 -55.07 -48.74 73.09 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.76 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -57.23 -39.76 76.19 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.855 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -15.73 63.54 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.143 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 57.3 mtt -111.31 5.34 19.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.443 0.297 . . . . 0.0 110.993 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 110.904 -173.314 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 120.472 0.177 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ptm -136.45 156.3 48.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 169.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -67.45 153.51 43.53 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.691 173.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.65 -10.08 14.51 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.785 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -68.18 122.35 83.76 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.83 71.31 2.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 123.006 2.471 . . . . 0.0 112.529 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.45 -22.91 0.08 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.4 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 t -104.19 -74.56 0.64 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.682 0.393 . . . . 0.0 110.092 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 48.67 41.78 18.31 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.413 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -82.49 157.73 23.48 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.608 175.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.72 127.29 44.6 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.135 0.493 . . . . 0.0 111.317 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -111.65 170.04 8.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 123.991 0.916 . . . . 0.0 110.465 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.55 -26.25 4.59 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.583 -175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 30.0 mtmm -109.04 123.23 48.82 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.731 0.301 . . . . 0.0 110.33 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -49.02 62.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.129 -176.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 m -68.3 -36.67 79.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.522 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.08 -29.39 65.23 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.746 0.308 . . . . 0.0 110.283 -179.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.16 -43.6 61.26 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.962 169.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.3 -38.75 77.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.383 -0.198 . . . . 0.0 110.658 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.61 94.11 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.699 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -57.89 -41.93 83.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.78 65.88 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.581 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -55.52 -38.34 69.1 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.47 -36.6 69.27 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.708 0.29 . . . . 0.0 110.896 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -89.9 -16.89 29.07 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 122.999 0.519 . . . . 0.0 112.037 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.28 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.39 -169.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.632 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -132.69 147.9 52.34 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.519 0.199 . . . . 0.0 110.624 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 CA--C 1.546 0.802 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.404 169.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 148.31 27.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.742 -176.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.8 m-85 -138.5 164.77 28.55 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.001 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -109.06 -20.43 13.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.491 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.65 146.47 44.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.05 0.452 . . . . 0.0 110.575 173.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.5 t -60.64 -36.84 79.66 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.413 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.51 -36.66 83.26 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.351 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.53 -50.84 71.06 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.1 tp -60.62 -44.25 96.56 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -47.16 84.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.288 0.235 . . . . 0.0 110.931 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.04 -47.46 80.87 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.77 -36.75 79.75 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.601 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.09 -38.26 62.41 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.703 0.287 . . . . 0.0 110.454 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -55.13 -32.99 62.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.087 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -55.76 -33.14 64.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.52 0.328 . . . . 0.0 111.49 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.83 -32.05 9.0 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.634 0.255 . . . . 0.0 111.251 -178.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.2 p -86.52 -5.26 59.19 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -173.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.8 7.94 45.04 Favored Glycine 0 CA--C 1.544 1.853 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.793 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG12 ' HD3' ' A' ' 66' ' ' PRO . 46.2 t -70.02 106.02 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.906 -175.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -117.03 83.84 15.51 Favored Pre-proline 0 N--CA 1.475 0.809 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.12 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 64' ' ' VAL . 86.3 Cg_endo -82.88 -14.6 8.68 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.619 2.213 . . . . 0.0 113.12 -171.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 82' ' ' LEU . 69.8 m-85 -89.06 130.21 35.56 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -124.14 141.27 52.2 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.46 148.36 50.73 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.021 0.438 . . . . 0.0 110.418 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 6.56 47.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.866 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.62 -64.28 1.12 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.744 -172.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.6 p -96.61 -6.39 36.87 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.352 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 19.68 10.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.894 0.478 . . . . 0.0 111.438 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -74.66 130.33 39.32 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.845 0.355 . . . . 0.0 110.472 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -92.65 144.56 25.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 111.183 -177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -134.84 159.86 40.04 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 23.9 p -98.33 0.02 44.71 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.529 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -135.24 134.09 39.66 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 p -64.0 -39.82 94.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.665 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -64.74 -42.04 95.47 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -63.82 -42.21 97.69 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 122.435 -0.166 . . . . 0.0 110.853 173.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.769 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.2 tt -64.32 -46.7 82.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.412 0.149 . . . . 0.0 110.705 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.42 -34.27 76.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.724 0.297 . . . . 0.0 110.561 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.7 m -66.95 -49.61 64.92 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -54.12 -40.76 67.62 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.92 -27.49 68.86 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.062 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.6 m -62.63 -35.96 81.28 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.395 0.14 . . . . 0.0 111.017 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -86.27 -25.1 25.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.671 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 m -91.68 -6.01 52.78 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.54 15.57 47.15 Favored Glycine 0 CA--C 1.546 2.016 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.365 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.57 90.67 3.92 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.015 0.436 . . . . 0.0 110.808 -174.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -117.77 83.7 18.69 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.474 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -84.48 -17.74 5.15 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.645 2.23 . . . . 0.0 113.051 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.855 0.36 . . . . 0.0 110.99 -175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 m -80.25 140.91 36.01 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.994 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.7 t -70.2 139.3 52.29 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 8.64 33.53 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.58 152.36 86.04 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 120.726 0.298 . . . . 0.0 110.764 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.65 4.64 2.91 Favored 'Trans proline' 0 CA--C 1.547 1.172 0 C-N-CA 122.819 2.346 . . . . 0.0 113.105 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -143.11 25.39 1.75 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -153.19 157.4 40.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 111.195 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -148.38 22.55 1.05 Allowed 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.065 169.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.2 mtmm -65.42 135.76 55.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.479 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 16.6 ptmt -111.79 136.24 51.33 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 111.549 -169.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -119.92 164.9 15.36 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.527 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.07 0.11 34.38 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.175 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -133.84 139.94 46.57 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 110.744 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -59.39 -43.68 92.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.885 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.48 -33.69 75.64 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.523 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -60.76 -42.77 98.13 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.62 -41.84 92.26 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.964 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.5 t -58.11 -47.63 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.28 -46.74 87.71 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.549 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.442 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 61.3 t60 -54.9 -50.12 69.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.711 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.06 -38.62 73.52 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.882 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -15.68 63.56 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.083 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.7 mtt -114.56 9.77 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.934 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.345 0.373 0 CA-C-O 120.772 0.32 . . . . 0.0 110.978 -174.325 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--O 1.211 -0.969 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.8 ptm -136.44 151.44 49.5 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.068 0.461 . . . . 0.0 111.359 169.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.8 t -71.88 167.07 20.81 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.324 169.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.59 -1.4 7.42 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.309 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -68.66 123.9 88.87 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -52.51 -28.02 34.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.888 2.392 . . . . 0.0 113.667 -173.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -0.32 86.41 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.54 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 22.7 t -130.33 -85.74 0.52 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 122.562 0.345 . . . . 0.0 110.658 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 23.85 14.11 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 122.727 0.411 . . . . 0.0 111.431 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HE3' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -81.69 167.25 19.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.722 0.296 . . . . 0.0 110.986 -176.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.43 133.77 52.67 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.163 0.506 . . . . 0.0 111.393 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.725 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.5 m-85 -118.81 168.28 10.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.978 0.911 . . . . 0.0 110.851 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -114.58 -52.65 2.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -77.22 118.41 19.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -48.04 -49.81 30.05 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.803 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.7 p -67.94 -35.6 78.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -35.08 74.91 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.923 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.725 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -72.99 -36.77 67.11 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 172.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -48.55 80.9 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.11 -0.369 . . . . 0.0 110.058 174.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.18 -47.13 82.01 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -57.79 -41.55 82.32 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.523 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -59.45 -36.67 76.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -56.37 -37.95 70.76 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.638 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.3 -33.72 65.82 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.665 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.23 -21.36 50.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.363 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.2 p . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 178.243 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.452 ' HB3' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -132.71 154.18 50.42 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.71 0.29 . . . . 0.0 110.955 170.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.7 t . . . . . 0 CA--C 1.545 0.767 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.676 172.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 . . . . . 0 N--CA 1.468 0.43 0 CA-C-O 120.794 0.331 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -121.59 153.9 37.46 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.6 m-85 -135.94 164.6 27.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.183 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -105.95 0.4 25.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.608 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -148.48 153.81 38.97 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.885 0.374 . . . . 0.0 111.007 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -61.64 -44.59 96.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.861 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -62.71 -33.98 76.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.185 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -72.52 -43.11 64.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.558 0.218 . . . . 0.0 110.721 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.5 tp -59.95 -43.38 95.06 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 171.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.83 -44.99 94.68 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.176 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.15 -45.3 93.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.665 0.269 . . . . 0.0 110.326 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 t60 -60.74 -38.72 86.11 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.18 -35.29 59.66 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.732 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -54.78 -33.28 61.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.746 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -55.65 -47.64 76.31 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.087 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -71.1 -31.53 67.91 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.974 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -71.02 -21.85 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.247 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 -5.27 8.61 Favored Glycine 0 CA--C 1.554 2.491 0 C-N-CA 121.686 -0.292 . . . . 0.0 113.032 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.0 t -76.19 137.2 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -119.42 85.38 31.39 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.201 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.9 -21.12 7.12 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.639 2.226 . . . . 0.0 113.211 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -77.88 83.07 4.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 120.847 0.356 . . . . 0.0 110.667 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -90.71 131.32 36.46 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.761 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.1 t -64.67 126.64 28.55 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.302 0.572 . . . . 0.0 111.354 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -7.55 7.3 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.662 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -65.81 1.02 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.302 0.241 . . . . 0.0 110.805 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 21.1 p -109.93 1.29 19.02 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 120.658 0.266 . . . . 0.0 111.574 -173.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 66.37 14.4 9.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.259 0.624 . . . . 0.0 111.78 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -56.09 118.14 4.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 169.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 140.42 29.53 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.031 0.443 . . . . 0.0 111.006 -175.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -134.08 163.99 28.34 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.287 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 p -99.57 -9.26 23.45 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.35 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -137.0 148.39 46.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.042 0.448 . . . . 0.0 111.162 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 p -69.65 -40.34 76.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.04 -34.91 78.58 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-O 120.545 0.212 . . . . 0.0 110.988 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -66.67 -46.57 75.23 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 172.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.75 -47.56 83.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.624 0.25 . . . . 0.0 110.979 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -62.31 -34.39 76.52 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.507 0.323 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 m -68.6 -49.58 58.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.597 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -62.51 -30.83 71.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.5 m -54.15 -40.23 67.23 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -61.61 -22.82 65.57 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.861 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.42 -39.35 67.24 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.014 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -19.9 20.0 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 120.519 0.2 . . . . 0.0 111.061 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -91.66 -6.25 52.45 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.6 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.88 9.63 41.07 Favored Glycine 0 CA--C 1.545 1.911 0 C-N-CA 121.299 -0.476 . . . . 0.0 112.861 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -80.79 99.3 8.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.871 0.367 . . . . 0.0 110.99 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.46 84.87 36.57 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.73 -24.78 2.15 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.557 2.171 . . . . 0.0 112.909 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -75.93 80.58 2.81 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -85.46 139.69 31.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.42 161.07 31.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 5.98 10.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.165 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -70.89 158.48 87.99 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.19 110.12 0.33 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.188 2.592 . . . . 0.0 113.194 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.0 t 59.97 20.31 9.37 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.047 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' CE ' ' A' ' 104' ' ' LYS . 32.0 t -80.29 -84.72 0.09 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.579 0.228 . . . . 0.0 110.643 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.55 18.73 11.35 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.944 0.498 . . . . 0.0 111.48 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.437 ' CE ' ' SG ' ' A' ' 102' ' ' CYS . 46.4 mtmt -65.63 134.17 52.71 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -109.36 144.93 36.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.046 0.451 . . . . 0.0 111.742 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -128.34 162.75 26.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.58 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.04 -1.62 39.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -134.19 140.59 46.61 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 p -57.31 -45.52 84.13 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.755 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -67.17 -33.7 75.96 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.442 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.68 -41.56 95.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.13 -43.37 87.3 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.957 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.06 -41.52 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.321 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.63 -46.89 80.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -54.42 -49.22 70.47 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.66 -41.02 76.52 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -71.0 -15.59 62.58 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.231 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.6 mtt -107.32 3.43 25.38 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.008 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 111.052 -172.725 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 C--O 1.215 -0.732 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -136.66 154.38 50.65 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.982 0.42 . . . . 0.0 111.586 169.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 46.4 t -77.68 -178.4 5.32 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.243 169.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -132.41 -16.39 2.72 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.32 133.07 95.53 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-O 120.445 0.164 . . . . 0.0 110.686 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.54 -33.39 57.81 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.703 2.269 . . . . 0.0 113.184 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.82 7.86 64.65 Favored Glycine 0 CA--C 1.547 2.033 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.742 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -147.56 -89.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.393 0.277 . . . . 0.0 110.717 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.74 39.51 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -175.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 172.02 7.96 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.862 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -101.98 137.45 40.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 111.87 -170.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.71 ' CD1' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -119.07 168.33 10.93 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.702 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -123.71 -30.77 3.54 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.725 -174.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 6.3 mptp? -100.69 118.48 36.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.793 0.33 . . . . 0.0 110.347 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -46.87 -52.7 13.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 p -68.11 -35.83 78.77 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.521 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.71 -36.09 79.98 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.71 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -70.59 -44.07 68.09 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.057 171.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.23 -41.5 84.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.344 -0.222 . . . . 0.0 110.779 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.46 82.71 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.703 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.9 -39.23 77.4 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.562 0.22 . . . . 0.0 110.48 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -59.09 -35.0 72.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.946 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -38.6 70.28 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.39 -34.08 66.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.247 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -84.05 -28.83 27.35 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p . . . . . 0 N--CA 1.491 1.612 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.563 177.102 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.731 ' HB3' HD22 ' A' ' 54' ' ' LEU . 68.3 m-85 . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 120.777 0.322 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -132.64 156.74 46.38 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.1 t . . . . . 0 CA--C 1.54 0.562 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 177.842 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -130.88 151.35 51.41 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.3 m-85 -140.39 164.64 29.58 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.178 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 p -113.24 7.06 17.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.593 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -156.2 153.2 28.83 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 111.064 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 m -56.23 -44.48 79.64 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.616 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.98 -38.26 90.41 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.313 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -61.43 -49.77 75.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.672 0.272 . . . . 0.0 110.272 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.6 tp -61.46 -46.38 90.31 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.85 -42.29 98.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.083 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.68 -46.13 91.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.63 -39.91 90.01 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.128 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -53.32 -37.31 62.16 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.215 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -55.22 -33.21 62.89 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 122.511 -0.118 . . . . 0.0 111.047 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -60.38 -34.09 73.4 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.157 0.183 . . . . 0.0 111.36 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -90.55 -41.54 11.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.725 0.298 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -77.88 -16.37 58.31 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.355 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.44 7.01 67.27 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 121.661 -0.304 . . . . 0.0 113.041 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.83 137.33 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.03 0.443 . . . . 0.0 111.011 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.44 77.92 75.14 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.103 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.3 -14.96 22.83 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.668 2.246 . . . . 0.0 113.133 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.651 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.0 m-85 -89.61 126.84 35.78 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -124.33 132.69 53.56 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t -64.78 124.14 21.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.524 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -11.74 19.31 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.62 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.99 -74.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.335 0.254 . . . . 0.0 110.829 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.72 1.03 56.65 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 64.91 17.35 11.0 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.638 0.375 . . . . 0.0 111.435 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -66.45 122.27 17.17 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-O 120.811 0.339 . . . . 0.0 110.279 175.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -89.4 146.07 24.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.306 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -141.5 161.83 36.96 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.423 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -101.93 -3.41 27.88 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.667 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.34 130.35 36.83 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.4 t -58.07 -39.39 78.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.74 -34.99 79.46 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.538 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -75.86 -34.77 60.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.9 -0.136 . . . . 0.0 110.86 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -67.29 -46.9 72.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.622 0.249 . . . . 0.0 110.616 174.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -61.91 -34.38 75.95 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.723 0.297 . . . . 0.0 110.613 176.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 -49.5 56.81 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -61.97 -32.4 72.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.0 m -54.14 -41.1 68.05 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -62.01 -23.23 66.3 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.475 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -67.39 -29.35 68.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.893 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -92.99 -23.49 18.67 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.682 0.277 . . . . 0.0 110.751 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 m -91.85 -6.07 52.24 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.382 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.7 16.08 49.91 Favored Glycine 0 CA--C 1.546 2.002 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.483 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 95.51 5.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.719 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -121.5 79.34 37.73 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.471 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.38 -17.97 6.16 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.629 2.22 . . . . 0.0 113.034 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.75 77.44 9.5 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.0 p -78.81 143.85 35.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.0 t -70.48 161.27 30.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.142 0.496 . . . . 0.0 111.098 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -123.48 7.16 8.95 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.863 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.22 158.66 83.68 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 120.816 0.341 . . . . 0.0 111.009 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.95 113.54 1.13 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.831 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t 61.13 27.96 17.69 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.822 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 36.9 t -79.96 171.19 15.43 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-O 121.131 0.491 . . . . 0.0 110.746 172.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.451 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -161.74 24.4 0.12 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.665 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.78 140.73 30.15 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 120.692 0.282 . . . . 0.0 110.535 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -128.51 146.49 50.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.925 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -129.39 162.9 26.98 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.82 34.04 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.103 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -134.18 142.25 47.36 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.661 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.7 p -57.83 -45.12 86.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.674 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.32 -33.65 75.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.699 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.81 -38.36 85.12 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 97' ' ' CYS . 58.2 tp -67.53 -43.25 81.23 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.803 174.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.02 -41.64 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.161 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.09 85.18 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.419 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.53 -49.09 73.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.804 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.62 -39.6 73.91 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.946 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -72.4 -15.56 61.84 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 120.494 0.187 . . . . 0.0 111.208 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.3 mtp -103.94 -1.76 27.15 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.965 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.346 0.418 0 CA-C-O 120.681 0.277 . . . . 0.0 111.107 -171.48 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 C--O 1.213 -0.859 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.4 ptm -103.67 144.21 31.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.197 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 t -80.19 141.99 35.12 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.007 171.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.74 11.46 2.69 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -63.71 119.47 54.63 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -48.31 106.86 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.711 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.68 -39.12 1.98 Allowed Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -170.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.76 173.71 6.22 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.068 0.547 . . . . 0.0 110.719 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.71 117.67 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.292 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -154.1 173.7 15.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.347 0.118 . . . . 0.0 110.898 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -136.59 133.76 36.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.698 ' CD1' HD23 ' A' ' 24' ' ' LEU . 93.1 m-85 -130.27 163.53 26.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.591 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -120.02 -44.35 2.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 1.8 tptm -77.06 112.64 13.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.564 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 21' ' ' LEU . 5.4 tt -43.91 -49.67 8.33 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.85 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 p -68.05 -35.5 78.34 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -72.44 -34.67 67.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.989 -178.789 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.14 -38.19 66.36 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.618 170.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.23 87.16 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.6 tpt -63.02 -47.61 82.35 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.07 -41.27 83.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.624 0.25 . . . . 0.0 110.646 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 m -59.24 -28.17 66.46 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -55.35 -38.34 68.65 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.81 -177.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.5 -34.01 68.63 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.619 0.247 . . . . 0.0 110.963 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -89.84 -2.73 58.28 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.903 0.481 . . . . 0.0 112.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 N--CA 1.486 1.355 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.271 177.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.648 ' HB3' HD22 ' A' ' 54' ' ' LEU . 15.3 m-85 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 157.16 16.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.916 0.388 . . . . 0.0 110.755 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.535 0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.591 171.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.17 147.26 51.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.079 177.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.17 164.78 29.15 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.584 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -105.37 -12.23 16.12 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.615 0.245 . . . . 0.0 111.49 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.25 143.86 49.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 110.59 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -58.54 -37.97 76.8 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.55 -42.71 97.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.066 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.78 -50.98 70.17 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.436 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 37' ' ' TYR . 44.9 tp -62.76 -46.64 87.1 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.933 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.02 -41.07 97.57 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.376 0.27 . . . . 0.0 111.124 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -63.46 -47.13 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.56 -36.49 78.61 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.105 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.88 -38.18 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.395 0.278 . . . . 0.0 110.777 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -55.45 -32.9 63.14 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.719 -0.218 . . . . 0.0 111.488 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -55.69 -34.61 65.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.047 0.139 . . . . 0.0 111.29 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.17 -44.81 11.22 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.643 0.258 . . . . 0.0 110.942 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -77.19 -14.32 59.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 -173.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.92 3.51 60.16 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.913 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.88 124.19 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.818 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -124.53 78.76 62.45 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.233 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.0 -20.38 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.698 2.265 . . . . 0.0 113.039 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -79.07 79.54 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.786 0.327 . . . . 0.0 110.648 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -90.81 130.5 36.77 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.864 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.77 125.52 25.06 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.189 0.518 . . . . 0.0 111.048 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -2.21 1.59 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.035 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -61.65 1.56 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.242 0.217 . . . . 0.0 111.001 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.4 p -113.66 4.11 15.92 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.439 -172.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 62.32 17.88 9.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.996 0.518 . . . . 0.0 111.869 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -57.49 107.49 0.44 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -88.01 133.78 33.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -129.05 162.54 27.42 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.352 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -104.43 4.89 33.76 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -136.62 137.98 40.7 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.3 p -71.7 -35.51 70.25 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.72 -37.5 82.29 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.002 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -64.64 -45.26 87.54 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 172.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.3 tt -64.61 -46.69 81.56 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.488 0.185 . . . . 0.0 111.009 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.31 -34.22 77.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.711 0.291 . . . . 0.0 110.676 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.7 m -69.14 -49.68 54.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.648 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.4 -32.86 73.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.818 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 m -53.94 -40.25 66.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.967 0.507 . . . . 0.0 110.786 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 86.7 mtt-85 -61.89 -22.77 65.84 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.22 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.2 m -54.34 -35.54 62.83 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.46 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -94.93 -33.46 12.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.359 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 18.9 p -91.4 -6.14 53.32 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.144 -169.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.97 2.29 30.02 Favored Glycine 0 CA--C 1.547 2.061 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.009 173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.75 92.93 0.91 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.937 0.368 . . . . 0.0 110.627 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -119.31 82.34 23.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.29 -18.19 8.63 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.671 2.247 . . . . 0.0 113.226 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.97 79.48 8.48 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.926 0.393 . . . . 0.0 110.992 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 t -78.7 146.02 34.21 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.437 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.7 t -70.39 161.26 30.8 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.362 169.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -125.78 5.34 7.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.803 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -64.26 149.62 94.14 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.771 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.12 23.34 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 123.032 2.488 . . . . 0.0 113.129 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 m -162.54 27.07 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.342 0.257 . . . . 0.0 110.771 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.8 t -139.04 152.7 47.8 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-O 121.086 0.47 . . . . 0.0 111.183 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -146.6 32.54 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.923 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -80.91 143.16 32.88 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -118.82 142.71 47.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.55 161.72 26.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.584 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.16 -0.97 37.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -133.03 139.13 47.05 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.13 0.49 . . . . 0.0 110.747 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -57.1 -44.72 83.46 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.654 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.61 -33.38 74.87 Favored 'General case' 0 CA--C 1.558 1.264 0 O-C-N 122.251 -0.281 . . . . 0.0 111.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -40.98 96.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.9 tp -65.56 -44.3 87.21 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.856 173.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.8 -41.41 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 120.81 0.338 . . . . 0.0 110.34 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.87 -46.85 80.07 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.538 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -54.53 -49.49 70.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.724 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.74 -39.49 74.05 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -17.0 63.71 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.102 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -108.74 3.76 23.0 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.03 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.379 0 CA-C-O 120.66 0.267 . . . . 0.0 111.017 -172.691 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 . . . . . 0 C--O 1.211 -0.961 0 N-CA-C 110.437 -0.208 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.4 mtp -135.93 143.57 45.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.951 0.405 . . . . 0.0 110.666 169.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.45 158.72 23.11 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.354 171.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.97 20.04 3.02 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -85.91 122.44 72.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 171.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.73 96.59 0.25 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.385 2.057 . . . . 0.0 111.631 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.11 -22.27 1.25 Allowed Glycine 0 CA--C 1.543 1.843 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -169.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.0 -79.81 0.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.896 0.479 . . . . 0.0 110.257 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 56.7 40.8 29.01 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 122.82 0.448 . . . . 0.0 111.469 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -99.95 167.73 10.31 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.919 0.39 . . . . 0.0 111.262 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -99.4 127.19 45.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.522 -171.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 24' ' ' LEU . 86.8 m-85 -103.44 167.17 9.98 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.818 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -129.39 47.42 2.49 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.357 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 14.2 mttt -179.84 142.85 0.17 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.095 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.53 -55.67 14.44 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.773 0.32 . . . . 0.0 110.365 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -67.97 -35.68 78.79 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.974 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.91 -32.57 65.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.105 -179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.0 -32.9 65.44 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.737 169.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -41.81 92.92 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.095 -0.378 . . . . 0.0 110.385 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 mmt -59.29 -49.85 76.26 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -58.22 -33.98 69.9 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.154 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -60.97 -35.25 76.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -56.31 -38.47 71.31 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.92 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -30.93 66.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.497 0.189 . . . . 0.0 111.027 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.64 -21.18 22.91 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.671 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 N--CA 1.478 0.951 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.223 171.603 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 54' ' ' LEU . 39.2 m-85 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.863 0.363 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.52 157.71 43.96 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.813 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 t . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.511 175.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 148.24 40.13 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.554 -178.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 70.4 m-85 -139.06 139.25 37.72 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.408 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.3 m -81.91 -4.19 56.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.272 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -134.41 136.38 43.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.583 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -56.4 -41.51 76.42 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.619 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.82 -36.47 76.86 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.354 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -72.76 -34.23 66.86 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.1 tp -64.21 -48.92 74.04 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.502 169.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.94 -44.22 82.3 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.679 0.276 . . . . 0.0 110.833 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.14 -47.38 85.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 175.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 57.2 t60 -60.72 -43.19 98.16 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.38 -32.06 47.64 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -54.91 -33.26 61.91 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 122.349 -0.219 . . . . 0.0 110.628 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -42.41 96.5 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.179 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -86.53 -7.3 58.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.455 -173.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.2 p -122.11 -2.96 9.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.561 -171.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.24 5.51 21.56 Favored Glycine 0 CA--C 1.55 2.227 0 C-N-CA 121.515 -0.374 . . . . 0.0 113.079 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.91 118.13 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.8 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -122.39 87.2 48.6 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 83.3 Cg_endo -85.06 -11.99 7.27 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.577 2.185 . . . . 0.0 112.927 -172.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.822 ' HB3' HD13 ' A' ' 82' ' ' LEU . 71.7 m-85 -94.39 127.01 40.0 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.13 141.28 52.19 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.623 0.249 . . . . 0.0 110.943 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.9 t -64.49 148.29 50.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.102 0.477 . . . . 0.0 110.318 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -86.21 -3.25 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 -77.06 0.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.782 -169.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.74 -2.43 57.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.618 0.247 . . . . 0.0 111.246 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 58.17 33.39 23.11 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.719 0.408 . . . . 0.0 111.026 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -72.3 130.8 41.64 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 170.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.09 140.06 33.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.995 0.426 . . . . 0.0 110.846 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.66 157.8 45.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 71.2 m -97.04 -3.15 41.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.478 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -132.82 130.37 39.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -176.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.6 p -63.5 -35.03 79.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.241 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.46 -46.43 79.86 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.953 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -63.85 -39.03 93.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.247 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.9 tt -62.55 -47.09 85.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.404 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.32 -34.24 76.25 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.3 m -69.65 -49.49 53.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.705 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -60.7 -37.06 80.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -53.87 -39.41 65.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -61.61 -27.82 68.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.481 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 m -54.5 -43.38 71.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 120.574 0.226 . . . . 0.0 111.179 173.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -84.77 -18.43 35.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.948 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.75 -2.85 56.78 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.05 23.19 59.14 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.423 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.82 133.39 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 -174.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -144.37 81.47 11.28 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.43 -23.86 11.15 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.466 2.111 . . . . 0.0 113.08 -171.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.2 m-85 -80.59 79.83 7.14 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.6 m -84.78 140.99 30.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.0 t -70.42 161.29 30.78 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -114.89 -84.66 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.513 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.405 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.6 m95 55.03 176.28 0.04 OUTLIER Pre-proline 0 CA--C 1.577 2.006 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 173.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 91.4 Cg_exo -53.67 -33.56 70.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.31 2.007 . . . . 0.0 112.624 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -167.75 75.49 0.14 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 37.9 t -138.08 160.31 39.71 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.063 0.459 . . . . 0.0 111.122 177.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.414 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 21.4 mm-40 -150.38 21.61 0.83 Allowed 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.61 128.2 34.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -108.46 140.6 41.55 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.318 -170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.3 160.88 32.58 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.57 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.36 -0.93 40.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -133.52 139.13 46.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.651 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.2 p -61.02 -40.69 94.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.42 -33.63 75.56 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.47 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -60.86 -42.55 98.07 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.2 tp -66.4 -40.12 89.42 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.983 175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.13 -46.44 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.74 -46.98 87.26 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.779 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.77 -40.39 75.77 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.816 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -16.4 62.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 0.0 111.059 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 40.8 ttm -105.48 2.01 28.16 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.115 -172.152 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.3 ttp -97.73 138.83 34.52 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.38 155.12 15.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.55 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.69 -12.71 12.15 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.43 116.46 40.22 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-O 120.493 0.187 . . . . 0.0 110.577 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -64.56 104.82 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.363 2.042 . . . . 0.0 111.257 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.57 -23.98 2.33 Favored Glycine 0 CA--C 1.539 1.568 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 10.7 t -126.37 -80.47 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.082 0.553 . . . . 0.0 110.311 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.97 37.67 29.11 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.694 0.398 . . . . 0.0 111.488 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -90.0 162.51 15.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.906 0.384 . . . . 0.0 111.238 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -98.7 141.7 31.19 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 111.425 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.661 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -127.83 164.21 22.7 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.197 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.69 -8.14 10.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 72.7 mmtt -125.59 135.53 52.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -47.38 86.7 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.084 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 p -68.14 -35.89 78.81 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -77.09 -35.67 56.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.853 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -68.4 -36.73 79.55 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.917 169.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -42.73 86.74 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 175.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.7 tpt -61.88 -44.47 96.74 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.487 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -58.11 -36.06 72.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.846 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -59.22 -35.21 73.22 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.546 0.212 . . . . 0.0 110.9 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -56.03 -38.25 70.3 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.36 -32.58 70.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.438 -177.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 27.1 m-70 -77.94 -21.45 51.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.484 1.229 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.204 173.133 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 54' ' ' LEU . 97.2 m-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -132.54 150.85 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.142 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 42.5 t . . . . . 0 CA--C 1.547 0.847 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.548 0 CA-C-O 120.79 0.329 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -95.21 156.64 16.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.4 m-85 -135.66 164.75 27.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.2 p -107.8 4.66 25.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -163.8 155.42 16.72 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.752 0.31 . . . . 0.0 110.694 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -44.17 81.9 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.6 -42.8 75.36 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.324 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.24 -37.37 66.38 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.089 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -64.06 -48.56 75.75 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.795 0.331 . . . . 0.0 110.563 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -58.71 -42.57 88.95 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.572 0.349 . . . . 0.0 110.967 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.01 -45.17 91.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.3 t60 -60.87 -36.91 80.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.259 -179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -53.37 -38.09 63.02 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.475 0.179 . . . . 0.0 110.786 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.53 -33.21 63.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.961 -0.109 . . . . 0.0 111.217 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.49 -35.92 82.5 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.167 0.187 . . . . 0.0 111.222 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -82.51 -43.96 16.53 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -73.77 -25.31 60.09 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.01 2.38 86.85 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-N 116.562 -0.29 . . . . 0.0 112.476 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.41 130.77 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.114 0.483 . . . . 0.0 111.052 -174.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -129.55 80.43 71.88 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.141 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.6 -8.85 17.2 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.731 2.288 . . . . 0.0 112.825 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.3 m-85 -96.92 75.16 2.66 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.737 0.304 . . . . 0.0 110.594 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.553 ' NE2' ' H ' ' A' ' 68' ' ' GLN . 1.9 pm0 -91.1 136.41 33.1 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -64.69 129.56 40.26 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.232 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -9.11 15.29 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.624 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 -60.52 1.52 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.288 0.235 . . . . 0.0 110.907 -175.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.03 1.66 13.3 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.408 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 73' ' ' GLN . 0.0 OUTLIER 65.09 14.58 9.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 122.787 0.435 . . . . 0.0 111.772 178.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -51.59 108.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 170.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -87.87 135.62 33.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.44 -170.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -132.14 161.4 33.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -108.41 2.2 22.24 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -137.51 120.71 16.8 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.941 -174.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -54.45 -35.38 62.95 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.57 -46.28 83.46 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 120.663 0.268 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -63.69 -36.37 83.63 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.949 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.9 tt -67.14 -47.11 72.05 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.65 -34.28 72.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.865 0.365 . . . . 0.0 110.555 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.4 m -70.41 -49.66 46.66 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.6 -30.45 71.56 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.0 m -54.08 -40.69 67.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.719 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -62.0 -23.14 66.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.122 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -54.59 -41.28 69.71 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.63 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -94.89 -26.3 16.22 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.114 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.5 m -91.48 -6.22 52.97 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.32 -17.14 1.97 Allowed Glycine 0 CA--C 1.551 2.313 0 C-N-CA 121.32 -0.467 . . . . 0.0 113.283 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.19 95.58 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.968 0.413 . . . . 0.0 110.855 -175.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.21 92.87 37.35 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -82.73 -21.31 5.05 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.517 2.145 . . . . 0.0 113.514 -169.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 89.5 m-85 -83.39 79.04 9.54 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -88.69 144.48 26.25 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.929 0.395 . . . . 0.0 111.185 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.407 ' HA ' HD11 ' A' ' 112' ' ' LEU . 32.6 t -70.41 152.81 43.66 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.163 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -121.39 11.9 10.79 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.083 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -65.78 159.22 70.71 Favored Pre-proline 0 CA--C 1.556 1.182 0 CA-C-O 120.634 0.254 . . . . 0.0 110.685 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.98 -33.88 54.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 C-N-CA 123.112 2.541 . . . . 0.0 113.533 -171.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.4 p -149.73 87.18 1.48 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.694 0.283 . . . . 0.0 110.538 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.1 t -160.97 -77.51 0.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 57.05 37.67 28.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 169.8 7.29 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -128.78 140.74 51.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.562 0.22 . . . . 0.0 111.107 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.32 154.95 46.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.657 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.05 -4.37 52.58 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -133.1 139.27 47.03 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.13 0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.5 p -57.19 -46.23 83.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.63 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.43 -33.69 76.28 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.412 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.0 tp -63.11 -45.09 93.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.681 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.93 -41.43 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.526 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -65.83 -46.87 76.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.48 -49.66 69.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.788 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.08 -39.1 74.31 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.938 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -16.96 63.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.8 mtt -110.52 6.62 22.13 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.959 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.344 0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 111.0 -173.291 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 58.6 m-85 . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -136.29 153.77 51.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.73 0.3 . . . . 0.0 110.542 169.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 15.4 t -67.66 161.58 25.52 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.8 172.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -106.8 -35.91 6.83 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.472 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -53.63 134.86 54.6 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 122.286 0.234 . . . . 0.0 111.399 -172.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.87 65.08 4.04 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.158 2.572 . . . . 0.0 112.48 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.53 -10.57 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.24 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.0 t -125.46 -79.78 0.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.641 0.376 . . . . 0.0 110.048 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.4 21.23 5.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.01 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -179.41 4.14 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.53 157.54 16.17 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.336 0.589 . . . . 0.0 111.487 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 26.0 m-85 -145.02 170.42 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.35 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' LYS . 9.5 t80 -108.72 -126.84 0.26 Allowed 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PHE . 92.5 mttt -11.37 106.37 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.385 1.074 . . . . 0.0 112.625 174.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.3 pt? -47.36 -43.86 23.48 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -177.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -67.99 -36.04 79.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.696 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.26 92.49 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.135 171.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.23 -38.73 90.34 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 122.349 -0.219 . . . . 0.0 110.472 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.9 tpt -64.61 -46.06 84.22 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.705 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -57.83 -44.25 86.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.036 0.446 . . . . 0.0 109.813 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -58.93 -35.16 72.63 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.649 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.8 tpt85 -58.88 -38.5 78.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.876 -0.147 . . . . 0.0 110.751 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.57 -35.03 71.75 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.452 0.168 . . . . 0.0 110.975 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -75.56 -21.42 57.89 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.273 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p . . . . . 0 N--CA 1.492 1.642 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.673 171.331 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.856 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.7 m-85 . . . . . 0 N--CA 1.469 0.48 0 CA-C-O 120.538 0.209 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.95 151.79 52.01 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.651 172.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 170.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 . . . . . 0 CA--C 1.514 -0.418 0 CA-C-O 120.686 0.279 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.11 151.48 30.77 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.189 0.519 . . . . 0.0 111.15 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.31 139.43 35.44 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.061 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 p -86.4 4.09 40.91 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -173.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -143.97 140.85 29.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -44.55 78.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.685 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -58.18 -42.56 86.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -63.54 -48.77 76.13 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.857 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.0 tp -58.63 -49.4 77.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 120.624 0.25 . . . . 0.0 110.695 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.99 -41.69 97.43 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.158 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -62.04 -47.43 84.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.777 0.322 . . . . 0.0 110.199 172.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -60.72 -36.78 79.71 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.041 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -53.11 -38.32 62.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.081 177.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -55.32 -32.96 62.9 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.035 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.86 -33.51 64.61 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.562 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -91.95 -40.69 10.99 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.561 0.219 . . . . 0.0 111.043 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.0 p -79.42 -10.55 59.83 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.395 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.81 4.74 48.76 Favored Glycine 0 CA--C 1.544 1.905 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.195 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.82 120.15 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.778 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -123.34 71.68 46.63 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.89 -21.24 12.61 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.695 2.263 . . . . 0.0 112.928 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.8 m-85 -81.44 76.38 8.37 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 47.8 tt0 -90.87 135.99 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.777 0.322 . . . . 0.0 111.175 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.19 124.4 22.53 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 172.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.67 -9.85 55.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.171 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -70.62 0.67 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.349 0.259 . . . . 0.0 110.848 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.9 p -93.3 -5.78 48.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.477 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 68.51 21.2 8.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.902 0.481 . . . . 0.0 111.244 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -72.4 117.06 13.59 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 120.753 0.311 . . . . 0.0 110.584 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 96.9 mttt -87.81 137.9 31.93 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.83 158.87 39.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.7 m -102.49 -3.18 27.28 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.311 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -133.6 138.12 45.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.998 0.428 . . . . 0.0 110.862 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 p -68.28 -35.83 78.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.11 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.62 -41.72 98.25 Favored 'General case' 0 CA--C 1.568 1.656 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -63.48 -47.5 81.52 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 172.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -60.53 -47.64 85.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.967 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.81 -36.93 85.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.7 m -65.16 -50.03 67.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.533 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.51 -38.49 91.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.718 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.4 m -54.21 -41.62 68.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -64.37 -22.93 67.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.096 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 m -54.4 -41.15 68.93 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.31 0.244 . . . . 0.0 110.971 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -76.25 -18.61 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.614 0.245 . . . . 0.0 111.06 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 p -96.09 -6.23 39.0 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.26 7.63 33.05 Favored Glycine 0 CA--C 1.557 2.668 0 C-N-CA 121.593 -0.337 . . . . 0.0 112.823 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.43 103.61 4.85 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -119.98 91.59 45.75 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.221 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.06 -20.84 4.13 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.554 2.169 . . . . 0.0 113.058 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.6 m-85 -81.48 75.46 8.44 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -176.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.6 t -78.92 145.92 33.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.07 154.76 41.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 3.7 12.0 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.989 -176.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -65.91 147.38 98.81 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 120.747 0.308 . . . . 0.0 110.735 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.54 28.64 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.996 2.464 . . . . 0.0 112.862 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -163.35 20.55 0.08 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.3 t -146.52 168.33 21.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.229 0.538 . . . . 0.0 111.168 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.2 tp-100 -166.09 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.209 170.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -72.42 145.33 47.73 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.037 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -118.61 140.35 50.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -171.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.72 162.71 23.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.698 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.04 -6.44 38.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -133.58 143.66 48.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.254 0.549 . . . . 0.0 111.034 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 p -60.52 -43.16 97.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.921 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -67.43 -33.78 75.88 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.425 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.73 -42.43 97.3 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.99 -40.37 91.12 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.949 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.13 -47.53 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.216 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.21 -46.73 88.75 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -57.29 -45.15 84.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.096 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.33 -33.33 67.61 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.91 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.66 63.01 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.193 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 43.5 mtt -86.94 -1.05 57.55 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.296 0.238 . . . . 0.0 111.054 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 C--N 1.345 0.391 0 CA-C-O 120.676 0.275 . . . . 0.0 110.434 177.362 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.398 0.142 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mtp -136.18 157.34 47.06 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 49.7 t -72.03 169.52 15.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.22 169.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -142.13 8.32 1.84 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.791 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 31' ' ' HIS . 45.9 t80 -74.35 138.99 74.89 Favored Pre-proline 0 CA--C 1.551 0.998 0 O-C-N 122.185 -0.322 . . . . 0.0 110.393 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.88 84.42 0.52 Allowed 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.715 2.277 . . . . 0.0 112.15 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 2.24 0.89 Allowed Glycine 0 CA--C 1.545 1.932 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.553 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 t -131.6 -74.79 0.52 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.78 0.29 . . . . 0.0 110.859 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 39.95 58.17 2.19 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 122.868 0.467 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -97.65 -177.55 3.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.435 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 142.45 50.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.069 0.462 . . . . 0.0 111.739 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.598 ' CD1' HD23 ' A' ' 24' ' ' LEU . 70.2 m-85 -129.76 169.69 14.8 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.45 -176.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -118.05 -14.67 9.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.611 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 44.2 mttp -130.14 129.96 44.16 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.411 0.284 . . . . 0.0 110.75 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -57.84 -47.6 82.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.391 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -67.9 -46.51 71.4 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.913 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -60.4 -30.24 69.48 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.547 -179.377 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.1 -40.54 64.89 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 122.195 -0.316 . . . . 0.0 111.015 170.142 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -58.05 -38.47 76.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.83 -44.84 92.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.706 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -58.01 -39.05 77.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.238 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -59.18 -27.84 66.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -55.39 -38.46 68.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 -178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -56.34 -33.54 65.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.09 177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 41.8 m-70 -89.62 -33.01 16.83 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.2 p . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 120.85 0.357 . . . . 0.0 110.05 173.598 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.675 ' HB3' HD22 ' A' ' 54' ' ' LEU . 22.0 m-85 . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.48 140.13 30.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.55 0.966 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 169.806 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -108.59 131.47 54.83 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.33 164.62 15.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.02 -37.96 11.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.347 -175.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.46 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.5 mtm-85 -111.68 153.1 26.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.151 0.5 . . . . 0.0 111.195 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.85 82.64 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.614 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.46 -35.15 80.05 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.382 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.46 HE21 ' NH2' ' A' ' 50' ' ' ARG . 88.5 mt-30 -64.27 -48.95 73.75 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 176.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 37' ' ' TYR . 58.8 tp -63.12 -43.43 98.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.05 -45.86 91.67 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.557 0.217 . . . . 0.0 110.883 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.69 -44.02 90.16 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.685 0.278 . . . . 0.0 110.286 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -60.73 -42.24 96.93 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -53.46 -30.62 41.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.301 0.24 . . . . 0.0 111.456 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -54.96 -33.05 62.02 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 120.495 0.188 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -57.91 -44.63 86.93 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.362 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -80.62 -25.97 38.05 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.704 0.288 . . . . 0.0 111.321 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -97.29 -1.41 44.74 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.294 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.17 11.86 28.17 Favored Glycine 0 CA--C 1.547 2.063 0 C-N-CA 121.704 -0.284 . . . . 0.0 113.307 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.1 131.77 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-O 121.128 0.49 . . . . 0.0 111.188 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.24 78.05 65.14 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.267 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -85.46 -20.51 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.658 2.238 . . . . 0.0 112.961 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 97.6 m-85 -78.03 84.88 4.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.686 0.279 . . . . 0.0 110.748 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -90.42 141.55 28.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 111.186 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.18 148.96 48.84 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.675 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.18 -8.04 58.78 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.68 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.22 -79.03 0.58 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.806 -173.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.4 p -81.13 -10.36 59.67 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.514 0.197 . . . . 0.0 111.168 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 67.84 29.21 6.78 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.968 0.507 . . . . 0.0 111.504 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.13 129.97 40.29 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 120.661 0.267 . . . . 0.0 110.461 170.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -89.09 145.13 25.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -141.85 167.51 21.97 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.525 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -104.24 -5.66 21.67 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -142.89 119.64 11.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.756 0.312 . . . . 0.0 111.07 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 10.1 p -61.58 -20.64 63.52 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.7 -37.74 73.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -73.84 -31.17 63.07 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.643 173.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.37 -47.79 69.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.523 0.202 . . . . 0.0 110.839 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.74 -37.36 86.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.827 0.346 . . . . 0.0 110.428 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.3 m -63.35 -49.49 73.7 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.539 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -64.11 -31.42 72.61 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -54.07 -38.25 65.1 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 122.821 0.448 . . . . 0.0 110.644 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -61.49 -22.57 65.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.947 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.2 m -54.48 -42.93 71.29 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.134 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.84 25.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.841 0.353 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -91.76 -3.09 56.6 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.201 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 52.51 20.1 7.07 Favored Glycine 0 CA--C 1.549 2.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 112.408 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.95 88.77 4.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.859 0.361 . . . . 0.0 111.017 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -112.56 80.81 3.81 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.29 -19.94 5.23 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.748 2.298 . . . . 0.0 112.949 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.3 m-85 -80.26 77.28 7.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.995 0.426 . . . . 0.0 110.743 -176.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 47.6 t -78.77 146.14 33.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.746 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.2 155.33 40.79 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.056 170.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.46 8.05 8.36 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.673 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -63.63 151.53 88.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.668 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 4.9 2.08 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.824 2.349 . . . . 0.0 113.303 -173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.3 p -146.81 36.18 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.833 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 25.1 t -145.76 165.51 28.6 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.212 0.53 . . . . 0.0 111.313 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -160.29 21.22 0.15 Allowed 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.31 173.176 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 42.1 mtmt -77.58 146.9 35.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 32.7 mttm -128.46 143.55 51.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.056 0.455 . . . . 0.0 111.272 -170.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.44 160.11 31.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.649 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.58 2.19 52.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.166 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -134.3 138.67 45.14 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.166 0.508 . . . . 0.0 110.823 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 3.0 p -59.18 -44.01 92.18 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.927 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.52 -33.78 75.77 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -60.75 -41.35 95.25 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.15 -40.59 86.72 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.981 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -44.99 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 120.681 0.277 . . . . 0.0 110.268 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.79 -46.84 83.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.363 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.97 -46.14 75.05 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.118 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -57.38 -33.64 68.03 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.865 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -18.52 65.21 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.207 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 49.8 mtt -77.51 -19.16 56.27 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.492 0.187 . . . . 0.0 110.919 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.345 0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 177.231 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 C--O 1.208 -1.128 0 N-CA-C 110.594 -0.15 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.45 148.59 47.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.5 t -71.42 173.57 7.71 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.971 169.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -140.68 4.26 1.92 Allowed 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -69.81 135.17 87.83 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -56.09 -19.16 25.64 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.864 2.376 . . . . 0.0 113.721 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.24 58.03 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 121.38 -0.438 . . . . 0.0 112.675 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -137.49 -92.28 0.23 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.567 0.183 . . . . 0.0 110.973 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.73 39.47 20.9 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.807 0.337 . . . . 0.0 111.14 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.84 166.13 12.34 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.909 0.385 . . . . 0.0 111.238 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 130.47 46.89 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.195 0.521 . . . . 0.0 111.464 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.762 ' CD1' HD23 ' A' ' 24' ' ' LEU . 75.1 m-85 -114.6 166.26 11.91 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.376 1.07 . . . . 0.0 110.598 178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -120.53 -15.18 8.54 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.763 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 3.9 mmpt? -120.89 132.24 54.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.688 0.28 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.95 -50.15 74.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.807 0.337 . . . . 0.0 110.547 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 p -68.09 -36.09 79.23 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.58 -39.02 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.524 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.05 -35.34 78.07 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.19 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -42.59 98.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.21 -43.33 95.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -58.03 -43.74 86.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 110.377 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -58.99 -29.93 67.59 Favored 'General case' 0 CA--C 1.524 -0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.84 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -55.32 -38.43 68.7 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.577 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.48 -35.7 68.27 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -89.72 -13.74 36.21 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.49 1.575 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.241 -170.508 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.483 ' HB3' HD22 ' A' ' 54' ' ' LEU . 13.1 m-85 . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.549 0.214 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.82 147.42 52.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 CA--C 1.551 0.997 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 169.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' NH2' HH21 ' A' ' 60' ' ' ARG . 70.9 mtt85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 120.673 0.273 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 154.14 23.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.236 0.541 . . . . 0.0 111.067 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.8 m-85 -140.21 164.79 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.658 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -105.95 -8.06 17.82 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' HE21 ' A' ' 53' ' ' GLN . 92.9 mtm-85 -141.34 156.3 45.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.105 0.479 . . . . 0.0 111.16 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -44.63 91.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.489 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -34.36 77.76 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.297 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.496 HE21 ' NH2' ' A' ' 50' ' ' ARG . 78.7 mt-30 -62.86 -50.35 71.25 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 37' ' ' TYR . 66.4 tp -62.07 -45.92 91.39 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.831 176.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.26 -40.19 93.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.25 0.22 . . . . 0.0 111.27 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -61.79 -44.39 96.96 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 3.1 t60 -60.74 -38.13 84.13 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -53.3 -31.67 45.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.24 0.216 . . . . 0.0 111.308 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 14.4 mmp_? -55.03 -32.93 62.24 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.406 0.146 . . . . 0.0 110.845 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.486 HH21 ' NH2' ' A' ' 46' ' ' ARG . 51.1 ttt85 -55.73 -41.61 74.14 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.428 0.291 . . . . 0.0 111.42 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.97 -45.83 13.63 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.695 0.284 . . . . 0.0 110.782 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -76.2 -9.47 58.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.631 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.62 1.42 23.15 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.724 -0.274 . . . . 0.0 112.895 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 66.1 t -71.21 108.78 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.984 0.421 . . . . 0.0 110.901 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -117.67 85.48 21.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.035 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD3' HG12 ' A' ' 64' ' ' VAL . 81.2 Cg_endo -85.78 -20.28 3.09 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.671 2.247 . . . . 0.0 113.068 -170.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -79.09 74.66 5.63 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.553 0.216 . . . . 0.0 110.633 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 45.1 tt0 -91.06 130.61 36.94 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.821 0.343 . . . . 0.0 111.345 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.74 124.26 21.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.317 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.84 -11.75 60.81 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.265 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -72.92 0.43 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.29 -8.51 35.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.597 -173.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 72.14 21.33 3.98 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.868 0.467 . . . . 0.0 111.127 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 106.92 1.27 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.595 171.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 1.3 ptpm? -87.88 126.27 34.95 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.11 -177.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.09 162.36 18.32 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.72 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 p -103.41 1.7 32.89 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.177 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -140.18 143.5 36.13 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 p -68.27 -33.84 75.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.043 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -66.72 -38.28 86.38 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 120.553 0.216 . . . . 0.0 111.192 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -71.31 -37.79 71.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.554 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.5 -46.47 82.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.531 0.205 . . . . 0.0 110.849 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.51 -34.33 77.98 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.683 0.278 . . . . 0.0 110.602 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.4 m -66.38 -49.58 66.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.491 175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.72 -34.12 76.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.011 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -54.27 -41.19 68.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.612 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -62.22 -24.22 67.11 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.272 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 p -68.9 -34.38 75.32 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.365 0.126 . . . . 0.0 110.932 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -83.1 -20.24 35.23 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.775 0.321 . . . . 0.0 110.671 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -91.83 -6.15 52.16 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.19 53.26 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.349 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.93 108.04 15.97 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -124.03 80.98 57.25 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.38 -22.96 3.67 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.723 2.282 . . . . 0.0 112.893 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.2 m-85 -76.19 77.23 3.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.988 0.423 . . . . 0.0 110.677 -177.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -82.91 142.46 31.42 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.7 t -70.45 160.42 32.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.113 0.483 . . . . 0.0 110.947 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -120.73 6.55 10.47 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.919 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -68.59 162.65 61.03 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.78 106.33 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 123.079 2.519 . . . . 0.0 113.171 -174.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.5 t 61.75 20.7 11.61 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 38.4 t -73.69 156.08 38.3 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.004 0.431 . . . . 0.0 110.745 176.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -146.92 22.61 1.23 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.839 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -77.87 132.74 38.11 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -128.42 138.0 52.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.82 162.42 25.18 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.823 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.11 1.99 39.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -135.91 135.08 39.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.066 0.46 . . . . 0.0 110.484 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 4.2 p -57.51 -43.3 84.14 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -67.32 -33.49 75.38 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.57 -41.74 95.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.5 tp -66.11 -41.4 90.64 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.857 175.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.2 -42.43 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.65 -46.94 83.36 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.344 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -54.37 -48.6 71.32 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.789 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.69 -39.73 74.34 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -71.74 -15.62 62.19 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.188 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.3 mtm -106.73 3.43 26.61 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 122.232 0.213 . . . . 0.0 110.991 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.328 0 CA-C-O 120.731 0.301 . . . . 0.0 111.027 -172.268 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.552 1.042 0 CA-C-O 120.764 0.316 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -161.31 116.35 2.08 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 66.3 -70.0 0.11 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 122.994 0.517 . . . . 0.0 110.4 -169.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -77.76 120.86 23.26 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 169.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -139.99 153.31 69.35 Favored Pre-proline 0 N--CA 1.475 0.807 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.497 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.86 167.65 25.8 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 122.752 2.301 . . . . 0.0 112.255 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -79.7 158.65 26.91 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.836 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 79.1 mtp -136.6 158.69 43.85 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.197 0.522 . . . . 0.0 112.12 -177.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 40.7 t -119.3 165.29 14.46 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.051 168.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.28 -3.87 7.4 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 111.592 0.219 . . . . 0.0 111.592 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' CE1' ' A' ' 31' ' ' HIS . 56.3 t80 -75.07 143.86 78.13 Favored Pre-proline 0 CA--C 1.557 1.238 0 CA-C-O 120.601 0.239 . . . . 0.0 110.763 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.37 149.31 23.38 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.764 2.31 . . . . 0.0 112.875 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.54 9.43 18.11 Favored Glycine 0 CA--C 1.559 2.808 0 CA-C-N 115.641 -0.709 . . . . 0.0 113.747 170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 15' ' ' ASN . 49.0 t -88.41 171.03 10.42 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 117.466 0.633 . . . . 0.0 110.56 175.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.433 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 40.8 t30 -68.24 -34.85 76.98 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.378 171.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 56.5 mttp 66.41 14.53 9.75 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 122.999 0.52 . . . . 0.0 111.469 177.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -148.71 127.13 12.29 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.265 171.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.746 ' CD1' HD23 ' A' ' 24' ' ' LEU . 71.1 m-85 -126.89 164.55 21.18 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.695 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.09 -14.06 9.94 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.787 -171.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 18.8 mmtm -127.62 129.14 46.73 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.832 0.349 . . . . 0.0 110.45 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 tt -53.05 -57.16 11.34 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.017 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m -67.87 -35.66 78.92 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.77 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -63.23 -40.95 98.9 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.087 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -69.55 -37.87 77.21 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.462 173.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -59.98 -48.59 81.09 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 121.999 -0.438 . . . . 0.0 110.353 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.0 tpt -60.08 -41.23 92.02 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.588 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.1 t60 -57.86 -43.24 85.82 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.272 178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 p -59.31 -38.06 79.3 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.037 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.564 ' NH2' ' H41' ' C' ' 144' ' ' ' DC' . 0.0 OUTLIER -57.31 -38.12 73.51 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.56 177.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -56.17 -38.43 70.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.215 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 21.7 m-70 -80.92 -23.39 38.94 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.386 0.143 . . . . 0.0 111.386 -172.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.6 p -54.73 -23.38 17.45 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 111.531 0.197 . . . . 0.0 111.531 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' HA2' ' HD3' ' A' ' 50' ' ' ARG . . . -96.49 5.71 65.02 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 121.66 -0.305 . . . . 0.0 112.802 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -127.12 2.67 6.47 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 122.323 0.249 . . . . 0.0 111.533 -173.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -68.84 119.63 70.68 Favored Pre-proline 0 CA--C 1.555 1.149 0 CA-C-O 120.555 0.217 . . . . 0.0 110.59 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -70.38 123.71 10.15 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.476 2.118 . . . . 0.0 112.897 -173.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.746 ' HB3' HD22 ' A' ' 54' ' ' LEU . 34.6 m-85 -123.22 168.96 11.77 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.61 172.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 0.4 OUTLIER -132.65 154.92 49.63 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.605 171.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 38.2 t -53.96 137.37 39.47 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.688 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -101.88 12.38 37.07 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.061 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -76.49 165.65 24.51 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -68.56 -32.28 72.09 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -176.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -134.43 53.73 1.98 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 120.65 0.262 . . . . 0.0 111.09 -173.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.1 t -143.89 165.62 27.23 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 120.942 0.401 . . . . 0.0 110.748 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.08 23.56 0.65 Allowed 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.02 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -78.98 163.1 25.49 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -124.24 155.74 38.06 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.126 0.489 . . . . 0.0 110.959 -177.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.7 m-85 -138.62 164.83 28.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.074 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 p -105.26 4.63 31.27 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.502 ' HG2' ' H ' ' A' ' 52' ' ' ASP . 22.5 ttp180 -164.18 158.08 18.69 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.798 0.332 . . . . 0.0 111.059 -178.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.28 -39.46 83.0 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 175.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' H ' ' HG2' ' A' ' 50' ' ' ARG . 28.1 t0 -65.53 -40.57 93.08 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.17 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -49.88 73.05 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.727 0.299 . . . . 0.0 110.603 175.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.746 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.7 tp -60.99 -46.45 90.68 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.888 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -58.84 -46.25 88.13 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.735 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -57.44 -46.05 84.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.619 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.2 t60 -60.69 -40.94 94.04 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.767 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -54.0 -38.43 65.08 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.092 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -55.72 -33.33 64.13 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 122.376 -0.203 . . . . 0.0 111.125 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.501 ' HG3' HH11 ' A' ' 60' ' ' ARG . 1.0 OUTLIER -68.15 -31.87 71.74 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.015 0.126 . . . . 0.0 111.193 179.052 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -85.3 -33.62 22.06 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 120.745 0.307 . . . . 0.0 110.88 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.1 p -94.38 -12.85 27.07 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.579 -171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.43 13.08 73.81 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 121.575 -0.345 . . . . 0.0 112.471 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.423 HG12 ' HD3' ' A' ' 66' ' ' PRO . 35.2 t -67.41 105.95 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.026 0.441 . . . . 0.0 110.957 -176.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -121.67 82.49 41.32 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.177 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.423 ' HD3' HG12 ' A' ' 64' ' ' VAL . 82.0 Cg_endo -85.27 -18.88 3.92 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.636 2.224 . . . . 0.0 112.983 -172.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.496 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.9 m-85 -80.89 84.6 6.35 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.628 0.251 . . . . 0.0 110.762 -176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -90.37 130.22 36.48 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.037 0.446 . . . . 0.0 110.991 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' SG ' ' HE3' ' A' ' 70' ' ' LYS . 19.4 t -64.62 124.47 21.98 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.867 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' HE3' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -57.83 -24.92 59.68 Favored 'General case' 0 CA--C 1.552 1.057 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.719 -179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -62.79 1.19 Allowed 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 120.609 0.243 . . . . 0.0 110.816 -178.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.26 -19.0 61.16 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.678 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.4 mm-40 62.61 8.92 3.19 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.572 0.349 . . . . 0.0 111.002 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -69.25 122.43 18.82 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.494 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -87.86 124.5 33.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.916 -175.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.07 162.48 16.42 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.411 177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.1 p -101.58 -6.49 23.79 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.637 -177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -136.89 143.17 42.84 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.017 0.437 . . . . 0.0 111.196 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.6 p -65.09 -39.59 93.4 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.926 176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.57 -34.86 79.25 Favored 'General case' 0 CA--C 1.568 1.647 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.226 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.482 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.5 m-70 -68.1 -45.82 72.64 Favored 'General case' 0 N--CA 1.488 1.427 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.538 172.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 67' ' ' PHE . 6.4 tt -64.25 -45.23 89.07 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 -179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -65.19 -34.27 77.97 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.6 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.3 m -67.62 -49.66 61.94 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -61.97 -33.99 75.33 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.1 m -54.28 -40.99 68.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 122.705 0.402 . . . . 0.0 110.974 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -61.98 -22.72 65.9 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 116.805 -0.18 . . . . 0.0 111.018 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.7 m -54.5 -40.83 68.93 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.858 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -86.67 -22.91 25.83 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 120.616 0.246 . . . . 0.0 110.95 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.81 -6.27 51.99 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.529 -169.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.61 15.08 38.71 Favored Glycine 0 CA--C 1.546 2.022 0 C-N-CA 121.471 -0.395 . . . . 0.0 112.528 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.38 96.36 7.32 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -121.58 83.69 41.76 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.592 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.17 -19.51 4.63 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.694 2.263 . . . . 0.0 113.058 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 97.0 m-85 -81.16 75.99 8.12 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 84.7 p -78.86 145.97 33.89 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.981 177.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.43 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.2 t -70.28 161.22 30.76 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.124 0.488 . . . . 0.0 110.935 176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -125.54 7.62 7.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.908 -175.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -65.26 153.02 90.56 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.502 179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -69.68 4.71 2.0 Favored 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 122.781 2.321 . . . . 0.0 113.33 -171.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -148.26 30.69 0.85 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 122.081 0.152 . . . . 0.0 111.152 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.7 t -146.81 150.27 34.97 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-O 121.078 0.466 . . . . 0.0 111.56 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -145.25 23.39 1.49 Allowed 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.946 169.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.5 mtmm -68.38 144.15 54.86 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 36.3 mttm -123.83 144.56 49.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.139 0.495 . . . . 0.0 111.548 -169.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -123.83 164.58 18.93 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.428 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.39 2.03 44.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.009 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -135.67 136.34 40.84 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.104 0.478 . . . . 0.0 110.666 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.403 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 13.9 p -57.21 -45.31 83.94 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.716 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -67.15 -33.58 75.72 Favored 'General case' 0 CA--C 1.558 1.261 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.465 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.69 -40.59 92.75 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 173.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.43 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.0 tp -66.29 -43.19 87.06 Favored 'General case' 0 CA--C 1.553 1.058 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.77 175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.4 t -58.03 -41.59 80.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 CA-C-O 120.876 0.369 . . . . 0.0 110.16 175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.53 -46.88 84.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.431 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 58.9 t60 -54.51 -49.84 69.24 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.541 0.21 . . . . 0.0 110.772 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -56.65 -37.85 71.36 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.966 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -18.79 64.47 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.179 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 55.7 mtm -106.0 0.66 25.86 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.079 178.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.344 0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.078 -171.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 0 C3'-C2'-C1' 98.576 -2.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.028 0 O4'-C4'-C3' 109.379 3.779 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.754 0 O4'-C4'-C3' 108.653 3.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.423 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 O4'--C4' 1.401 -4.133 0 C3'-C2'-C1' 98.158 -3.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.482 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O5'--C5' 1.409 -1.92 1 O4'-C4'-C3' 110.113 4.513 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.937 0 P-O3'-C3' 123.379 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O3'-P-O5' 100.614 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.13 0 C5'-C4'-C3' 108.97 -3.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.688 0 O4'-C4'-C3' 109.185 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.732 1 C5'-C4'-C3' 107.351 -4.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.831 2 C4'-C3'-C2' 97.777 -5.423 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.575 3.874 1 C2'-C3'-O3' 121.478 4.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.069 1 P-O3'-C3' 125.011 4.426 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.535 1 O4'-C4'-C3' 109.639 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 P-O3'-C3' 124.041 3.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.072 0 P-O3'-C3' 123.948 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.287 0 O4'-C4'-C3' 109.174 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.977 1 O5'-C5'-C4' 116.516 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -1.999 0 P-O3'-C3' 123.958 3.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.564 ' H41' ' NH2' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.407 -3.579 0 O4'-C4'-C3' 109.412 3.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.18 1 O4'-C4'-C3' 109.688 4.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.115 1 P-O3'-C3' 125.399 4.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 P-O3'-C3' 123.458 3.132 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . 0.437 " H1'" " H5'" ' C' ' 149' ' ' ' DG' . . . . . . . . 0 P--O3' 1.644 3.093 0 O4'-C4'-C3' 108.693 3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . 0.437 " H5'" " H1'" ' C' ' 148' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.547 4.444 2 C4'-C3'-C2' 98.927 -4.273 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.409 ' C5 ' ' C4 ' ' C' ' 149' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.408 -3.461 3 O5'-C5'-C4' 117.444 5.174 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.644 1 C4'-C3'-C2' 99.183 -4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.264 0 O4'-C4'-C3' 108.782 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.642 4.852 0 O4'-C4'-C3' 108.03 2.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -1.765 1 O4'-C4'-C3' 110.645 5.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 C5'-C4'-C3' 107.877 -4.549 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.509 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.688 1 O4'-C4'-C3' 110.546 4.946 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.509 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.116 0 C3'-C2'-C1' 98.792 -2.791 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 120.558 0.218 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -154.72 151.66 28.98 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.693 0.282 . . . . 0.0 110.687 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -71.4 -26.87 62.95 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.925 176.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -143.99 165.86 26.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.534 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -122.35 81.57 45.86 Favored Pre-proline 0 N--CA 1.475 0.795 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.557 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.2 166.14 29.58 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.592 2.194 . . . . 0.0 112.412 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 80.9 m-85 -88.69 162.23 16.4 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.59 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -136.25 152.78 51.09 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.977 0.417 . . . . 0.0 110.31 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -66.14 159.76 25.53 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.927 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.63 61.66 0.79 Allowed 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.485 176.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -150.62 134.69 9.27 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.248 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.76 -32.58 93.12 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.454 2.103 . . . . 0.0 112.632 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.24 6.64 49.82 Favored Glycine 0 CA--C 1.55 2.228 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.783 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.0 t -151.63 -89.2 0.06 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.864 0.332 . . . . 0.0 110.792 -178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.98 28.3 16.02 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 120.922 0.392 . . . . 0.0 111.01 -176.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -81.37 170.65 15.74 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.68 135.83 39.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.328 0.585 . . . . 0.0 111.698 -169.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.766 ' CD1' HD23 ' A' ' 24' ' ' LEU . 61.8 m-85 -116.45 163.7 15.66 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.512 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -112.46 -8.53 13.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.629 -174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 21.2 mtpp -132.18 149.51 52.37 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 176.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.1 tt -76.17 -48.47 20.38 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.609 -178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.9 p -68.16 -35.96 78.88 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.6 -43.15 81.18 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.339 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -64.42 -32.28 73.84 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.521 170.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.561 HE21 ' NH1' ' A' ' 29' ' ' ARG . 54.2 tt0 -64.82 -44.45 89.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.088 -0.382 . . . . 0.0 110.688 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -57.97 -46.27 85.41 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -58.0 -44.79 87.42 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.455 177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.0 m -59.6 -35.44 74.33 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.168 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.561 ' NH1' HE21 ' A' ' 25' ' ' GLN . 39.2 mtt85 -61.94 -38.04 86.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 175.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.89 -31.29 66.59 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 121.354 -0.138 . . . . 0.0 111.097 175.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -89.66 -26.81 20.53 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -52.52 -29.07 23.29 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.999 175.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.573 ' HA3' ' H73' ' B' ' 134' ' ' ' DT' . . . -87.3 13.55 59.75 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 121.477 -0.392 . . . . 0.0 112.789 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -131.67 9.01 4.59 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 122.353 0.261 . . . . 0.0 111.078 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -65.35 120.58 68.94 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 122.273 0.229 . . . . 0.0 110.508 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.12 142.27 24.4 Favored 'Trans proline' 0 CA--C 1.543 0.935 0 C-N-CA 122.486 2.124 . . . . 0.0 113.251 -169.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 54' ' ' LEU . 74.2 m-85 -140.43 175.89 9.22 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.462 170.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -132.7 149.81 52.24 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.3 t -52.24 143.24 15.03 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.886 0.374 . . . . 0.0 110.824 177.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -104.87 19.42 20.57 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.947 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -76.79 169.69 17.84 Favored 'General case' 0 CA--C 1.553 1.065 0 CA-C-O 120.978 0.418 . . . . 0.0 110.891 178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -65.45 -40.43 93.21 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.405 -176.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -144.79 91.96 2.23 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.76 0.314 . . . . 0.0 110.475 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.3 t -145.02 -71.9 0.26 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.651 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 64.81 24.46 12.81 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 122.777 0.431 . . . . 0.0 111.636 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -82.96 137.14 34.29 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 171.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' CD ' ' H ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -103.66 153.09 21.03 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.0 0.429 . . . . 0.0 111.024 -175.105 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.496 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 91.8 m-85 -135.6 164.8 27.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.02 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.7 p -110.52 20.44 17.7 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.453 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -168.56 157.15 8.52 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 120.66 0.267 . . . . 0.0 111.016 173.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 78.5 p -62.35 -35.19 78.35 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.411 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.1 -42.75 88.85 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.004 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.61 -47.11 79.8 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.634 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.3 tp -60.16 -43.13 96.02 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 176.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.81 -47.07 88.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.344 0.258 . . . . 0.0 110.944 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.7 mtm180 -57.88 -47.4 82.86 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 120.692 0.282 . . . . 0.0 110.282 173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.0 t60 -60.88 -37.28 81.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.183 -177.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -53.39 -38.18 63.15 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.37 -33.37 63.36 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.316 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -58.12 -35.35 71.35 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.238 0.215 . . . . 0.0 111.254 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.46 -37.15 12.69 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.618 0.247 . . . . 0.0 111.163 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.1 p -81.34 -19.28 43.15 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.337 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.65 3.74 63.85 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 121.634 -0.317 . . . . 0.0 112.489 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.493 HG12 ' HD3' ' A' ' 66' ' ' PRO . 39.1 t -68.31 113.05 3.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.881 -175.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -121.52 81.3 39.28 Favored Pre-proline 0 N--CA 1.478 0.949 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.306 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.493 ' HD3' HG12 ' A' ' 64' ' ' VAL . 85.8 Cg_endo -81.67 -23.0 5.1 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.666 2.244 . . . . 0.0 112.747 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.1 m-85 -78.92 76.28 5.41 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 120.787 0.327 . . . . 0.0 110.653 -178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 1.3 pt20 -91.09 137.63 32.22 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.066 0.46 . . . . 0.0 111.044 -177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.488 ' SG ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 t -64.59 129.43 39.8 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.468 -174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.488 ' HE2' ' SG ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -66.1 -2.02 3.74 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.775 176.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.93 -67.35 0.99 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.43 0.292 . . . . 0.0 110.762 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 29.2 p -108.65 3.88 23.3 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -174.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 63.33 15.99 9.12 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.961 0.505 . . . . 0.0 111.843 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER -53.65 111.96 0.83 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 169.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 43.5 mttt -87.88 136.61 32.88 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.126 0.488 . . . . 0.0 111.063 -172.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -130.74 160.92 32.91 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.417 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 m -105.63 -0.22 25.83 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -133.35 135.34 44.69 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.984 0.421 . . . . 0.0 110.707 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 p -65.76 -39.53 91.16 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.771 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.57 -34.83 79.16 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.457 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 1.9 m-70 -67.3 -42.65 83.38 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.617 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.8 tt -65.81 -46.73 77.53 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 120.56 0.219 . . . . 0.0 110.986 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.54 -34.38 77.68 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.63 0.253 . . . . 0.0 110.432 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.8 m -67.01 -49.62 64.72 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.67 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -63.07 -32.72 74.16 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.17 -40.99 68.01 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.639 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -62.11 -24.62 67.24 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.424 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -65.71 -28.91 69.41 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.912 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -94.76 -24.2 17.2 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.959 174.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.8 m -91.89 -6.14 52.02 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.542 -170.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.33 13.95 55.64 Favored Glycine 0 CA--C 1.545 1.907 0 C-N-CA 121.166 -0.54 . . . . 0.0 112.38 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -79.34 91.34 5.04 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.851 0.358 . . . . 0.0 110.795 -174.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -117.41 78.95 11.37 Favored Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.591 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.38 -24.24 5.55 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.659 2.239 . . . . 0.0 112.871 -177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.4 m-85 -77.56 77.37 4.08 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.994 0.426 . . . . 0.0 110.9 -176.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.0 m -81.61 145.16 30.75 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.463 ' HA ' HD11 ' A' ' 112' ' ' LEU . 11.7 t -70.36 159.7 33.66 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.088 0.471 . . . . 0.0 110.968 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -127.2 14.73 7.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.9 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -65.22 160.88 54.2 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.65 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.78 -32.27 28.73 Favored 'Trans proline' 0 C--N 1.361 1.193 0 C-N-CA 123.113 2.542 . . . . 0.0 113.55 -172.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.4 p -147.08 82.13 1.55 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 120.702 0.286 . . . . 0.0 110.566 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 42.5 t -148.88 155.38 40.81 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.072 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -145.21 22.92 1.52 Allowed 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.424 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.401 ' HE2' ' SG ' ' A' ' 102' ' ' CYS . 3.0 mppt? -78.32 138.2 38.45 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 44.4 mttp -128.44 143.4 50.98 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -172.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -128.9 162.41 27.6 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.017 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.4 -0.07 38.89 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.046 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -135.32 137.75 42.75 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.993 0.425 . . . . 0.0 110.489 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.4 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 16.1 p -57.22 -44.8 84.08 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.697 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -67.41 -33.56 75.43 Favored 'General case' 0 CA--C 1.555 1.168 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.707 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -60.6 -39.56 88.59 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.22 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.8 tp -67.65 -42.56 82.03 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.884 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 80.2 t -57.98 -41.64 80.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -63.06 -46.81 85.75 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.515 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -54.51 -49.5 70.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.537 0.208 . . . . 0.0 110.744 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -56.65 -39.58 73.95 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.836 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.92 -16.62 63.8 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 116.726 -0.216 . . . . 0.0 111.178 -178.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -109.56 2.83 20.63 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.993 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.657 0.265 . . . . 0.0 111.067 -172.336 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.284 1 O4'-C4'-C3' 110.088 4.488 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.437 0 O4'-C4'-C3' 108.643 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.846 1 C1'-O4'-C4' 104.042 -4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.609 1 O4'-C4'-C3' 109.817 4.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.204 0 C3'-C2'-C1' 97.159 -3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.457 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.545 2.653 0 C2'-C3'-O3' 117.468 2.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 C5'-C4'-C3' 110.192 -3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.514 0 O4'-C4'-C3' 108.042 2.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.709 0 O4'-C4'-C3' 109.58 3.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.806 0 O3'-P-O5' 97.847 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.573 ' H73' ' HA3' ' A' ' 33' ' ' GLY . . . . . . . . 1 C5'--C4' 1.546 4.345 1 C5'-C4'-C3' 108.295 -4.27 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.403 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.41 -1.848 0 O4'-C4'-C3' 108.667 3.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.556 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.011 2 O3'-P-O5' 95.877 -4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.506 0 O3'-P-O5' 97.477 -3.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.719 0 P-O3'-C3' 123.675 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 P-O3'-C3' 123.535 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.468 0 O4'-C4'-C3' 108.609 3.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 1 O3'-P-O5' 96.102 -4.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 0 O3'-P-O5' 96.949 -3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.76 1 O4'-C4'-C3' 110.724 5.124 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . 0.404 ' H62' HG21 ' A' ' 32' ' ' THR . . . . . . . . 0 O4'--C4' 1.414 -2.938 0 O4'-C4'-C3' 108.605 3.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.563 1 P-O3'-C3' 124.895 4.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.671 1 P-O3'-C3' 125.084 4.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C4'-C3' 108.182 2.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.309 2 C5'-C4'-C3' 108.588 -4.075 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 0 O4'-C4'-C3' 109.12 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 P-O3'-C3' 124.019 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.403 -2.143 0 P-O3'-C3' 122.528 2.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 0 O4'-C4'-C3' 109.121 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.735 1 O4'-C4'-C3' 110.95 5.35 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 O4'-C4'-C3' 109.487 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.51 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.276 0 O4'-C4'-C3' 108.902 3.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.413 -3.01 0 C3'-C2'-C1' 99.335 -2.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.901 0 CA-C-O 120.635 0.255 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -65.74 -37.06 85.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.011 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 44.83 1.18 Allowed 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -76.44 50.31 0.65 Allowed 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 120.821 0.343 . . . . 0.0 111.327 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -161.28 154.03 17.36 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.65 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.52 173.16 14.65 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.605 2.203 . . . . 0.0 111.939 172.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.86 147.48 39.01 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 176.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.48 152.35 50.45 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-O 120.978 0.418 . . . . 0.0 110.847 169.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -65.08 145.73 55.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.303 170.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.93 15.88 5.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -72.26 116.14 46.03 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 169.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.5 95.43 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 122.28 1.987 . . . . 0.0 111.446 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.41 -24.0 1.37 Allowed Glycine 0 CA--C 1.552 2.383 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -169.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.53 178.77 6.73 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.547 1.139 . . . . 0.0 109.437 169.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -173.06 31.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 120.699 0.285 . . . . 0.0 111.222 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -72.57 149.85 43.65 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -171.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -99.61 127.08 45.7 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.271 0.558 . . . . 0.0 110.953 -175.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.657 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.4 m-85 -111.94 170.05 8.42 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.229 1.012 . . . . 0.0 110.465 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -117.52 -29.08 5.89 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.366 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 60.7 mmtt -106.74 134.03 50.51 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.706 0.289 . . . . 0.0 110.573 178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.6 tp -56.04 -51.44 67.79 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.752 0.311 . . . . 0.0 110.601 177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 p -67.96 -35.72 78.86 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.264 -0.425 . . . . 0.0 112.085 -177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.506 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -73.41 -29.44 62.59 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.213 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.657 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.3 OUTLIER -73.35 -40.04 64.73 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.958 169.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.85 -39.5 85.42 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.857 -0.156 . . . . 0.0 110.586 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.1 mmt -59.98 -45.95 91.04 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.522 172.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -58.0 -40.14 80.01 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 p -58.92 -34.09 71.32 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.235 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -55.59 -38.45 69.44 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 110.536 -0.172 . . . . 0.0 110.536 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.93 -28.16 65.97 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.328 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -89.63 -20.73 23.35 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.5 p -60.92 -23.87 65.58 Favored 'General case' 0 N--CA 1.487 1.415 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.846 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.84 10.96 58.65 Favored Glycine 0 CA--C 1.544 1.898 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.537 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -59.81 -30.49 68.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.887 0.344 . . . . 0.0 111.079 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -144.32 89.68 6.89 Favored Pre-proline 0 N--CA 1.476 0.845 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.486 174.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.67 146.25 43.04 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.474 2.116 . . . . 0.0 111.971 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.535 ' HB3' HD22 ' A' ' 54' ' ' LEU . 59.4 m-85 -81.48 163.71 22.53 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.66 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -132.8 154.64 50.09 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.382 170.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.1 t -63.52 162.45 12.75 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.56 172.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -125.07 6.4 7.91 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -64.54 150.84 45.99 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 120.953 0.406 . . . . 0.0 110.93 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -64.48 -13.97 54.68 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.096 -170.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -136.95 33.52 2.63 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 120.544 0.211 . . . . 0.0 111.069 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.3 t -134.85 159.13 42.37 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.094 0.473 . . . . 0.0 111.08 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.46 29.67 0.38 Allowed 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.461 174.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.38 149.41 35.2 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.256 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -117.79 152.35 35.5 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.856 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 63.7 m-85 -138.63 139.42 38.53 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.374 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.0 t -88.74 3.72 49.93 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -141.15 138.06 33.17 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-O 121.182 0.515 . . . . 0.0 110.639 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.7 p -59.65 -44.63 93.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.239 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.83 -33.91 77.13 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.984 -177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -64.69 -46.12 83.73 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.596 174.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 37' ' ' TYR . 31.9 tp -61.56 -46.77 88.48 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.763 175.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -57.93 -42.88 85.78 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 120.589 0.233 . . . . 0.0 110.776 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -61.85 -47.09 86.6 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.544 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 69.7 t60 -60.58 -47.59 85.53 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.754 -179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -53.32 -38.07 62.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.953 172.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 -55.18 -33.09 62.71 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.019 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.1 ttt180 -64.89 -38.19 90.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.507 0.194 . . . . 0.0 111.142 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -81.29 -12.79 58.97 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 116.684 -0.234 . . . . 0.0 111.372 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 31.7 p -118.5 -7.9 10.56 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.68 -170.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.78 11.1 48.56 Favored Glycine 0 CA--C 1.552 2.345 0 C-N-CA 121.475 -0.393 . . . . 0.0 113.405 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.8 t -76.44 125.42 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 117.145 0.473 . . . . 0.0 110.886 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -118.29 88.29 32.48 Favored Pre-proline 0 N--CA 1.476 0.833 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.132 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 88.7 Cg_endo -84.8 -13.84 6.64 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.58 2.187 . . . . 0.0 113.262 -170.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.472 ' HB3' HD13 ' A' ' 82' ' ' LEU . 88.6 m-85 -90.42 133.85 34.74 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -124.52 138.96 54.29 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.635 0.255 . . . . 0.0 111.146 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.8 t -64.54 148.61 50.37 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.446 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -93.57 -4.33 51.11 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 -71.13 0.76 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.841 -175.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.4 p -88.38 -4.02 58.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.547 0.213 . . . . 0.0 111.117 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 61.22 26.1 16.01 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.323 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -80.48 140.81 35.73 Favored 'General case' 0 C--N 1.35 0.592 0 CA-C-O 120.818 0.342 . . . . 0.0 110.71 176.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -93.29 145.69 24.27 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.068 0.461 . . . . 0.0 111.316 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -137.97 163.46 31.46 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.392 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.1 p -96.38 -10.62 27.24 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.822 -174.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -139.65 135.72 33.56 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 120.759 0.314 . . . . 0.0 110.938 -177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.6 p -60.07 -34.12 73.0 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.11 -41.04 95.29 Favored 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.835 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.445 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.7 m-70 -63.77 -44.7 92.64 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 120.387 0.137 . . . . 0.0 110.817 171.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.472 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.3 tt -63.07 -47.55 82.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.536 0.208 . . . . 0.0 110.779 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.82 -34.25 76.91 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.722 176.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.3 m -67.74 -49.52 62.1 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.69 176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -62.69 -32.61 73.73 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.804 177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -53.95 -40.88 67.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.447 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -61.98 -23.01 66.13 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 42.3 p -60.02 -30.39 69.13 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 120.493 0.187 . . . . 0.0 110.723 175.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -89.02 -23.98 22.46 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.161 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.2 p -97.1 -3.71 40.71 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.99 18.66 27.36 Favored Glycine 0 CA--C 1.551 2.307 0 C-N-CA 121.682 -0.294 . . . . 0.0 112.555 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -75.08 81.54 2.26 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.969 0.414 . . . . 0.0 111.155 -172.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -109.17 83.55 2.39 Favored Pre-proline 0 CA--C 1.554 1.099 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.864 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -84.62 -26.43 1.65 Allowed 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.555 2.17 . . . . 0.0 113.014 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -74.73 82.23 2.09 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 120.962 0.411 . . . . 0.0 110.877 -173.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 16.6 m -87.96 145.1 26.18 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.447 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.2 t -70.54 161.27 30.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.177 0.513 . . . . 0.0 111.021 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -126.82 7.75 6.78 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.989 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -68.89 147.36 97.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.777 -177.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.99 26.4 0.33 Allowed 'Trans proline' 0 CA--C 1.551 1.374 0 C-N-CA 123.157 2.571 . . . . 0.0 112.903 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.62 27.45 0.1 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.597 177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 14.8 t -137.95 177.68 7.69 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.147 0.499 . . . . 0.0 111.152 -177.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -175.53 27.75 0.0 OUTLIER 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.038 178.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.04 152.75 21.5 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.196 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -128.58 148.18 50.76 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.023 0.44 . . . . 0.0 111.557 -176.529 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -129.84 163.77 25.56 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.67 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.37 0.25 33.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 -133.22 139.61 47.08 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.166 0.508 . . . . 0.0 110.741 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.4 t -59.83 -41.85 92.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.65 -33.75 75.58 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.511 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.7 -42.42 97.16 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 97' ' ' CYS . 60.6 tp -64.13 -42.83 96.68 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.681 -0.236 . . . . 0.0 110.887 174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.6 t -58.22 -43.47 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 CA-C-O 120.885 0.374 . . . . 0.0 110.494 175.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -69.42 -33.92 73.7 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 52.4 t60 -67.17 -42.28 84.53 Favored 'General case' 0 C--O 1.226 -0.163 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.484 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.59 -33.39 66.15 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -16.72 64.33 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-O 120.453 0.168 . . . . 0.0 111.251 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -80.92 -19.31 44.56 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.494 0.188 . . . . 0.0 110.897 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 . . . . . 0 C--N 1.346 0.419 0 CA-C-O 120.711 0.291 . . . . 0.0 110.41 177.134 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.686 0 C5'-C4'-C3' 111.393 -2.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.166 0 O4'-C4'-C3' 108.31 2.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.099 0 C3'-C2'-C1' 97.639 -3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.067 0 O4'-C4'-C3' 108.106 2.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.616 0 C3'-C2'-C1' 99.402 -2.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.445 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.543 4.036 0 P-O3'-C3' 123.729 3.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.938 0 O4'-C4'-C3' 109.049 3.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 C3'-C2'-C1' 106.403 2.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.113 1 P-O3'-C3' 125.222 4.602 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.561 -3.833 0 P-O3'-C3' 123.693 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.364 1 O3'-P-O5' 96.228 -4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 1 O4'-C1'-C2' 101.093 -4.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.997 1 P-O3'-C3' 125.552 4.876 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.048 0 P-O3'-C3' 123.868 3.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.528 2 O4'-C4'-C3' 110.237 4.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.453 0 P-O3'-C3' 123.454 3.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 0 P-O3'-C3' 124.426 3.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . 0.4 " H1'" " H5'" ' C' ' 142' ' ' ' DC' . . . . . . . . 0 P--O5' 1.629 3.639 1 O4'-C4'-C3' 110.486 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . 0.4 " H5'" " H1'" ' C' ' 141' ' ' ' DG' . . . . . . . . 0 P--O5' 1.616 2.322 1 P-O3'-C3' 124.525 4.021 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 P-O3'-C3' 124.16 3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.644 5.051 0 O3'-P-O5' 96.851 -3.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.09 2 P-O3'-C3' 125.856 5.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.612 0 O5'-C5'-C4' 115.792 3.994 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.382 -5.837 2 O4'-C4'-C3' 110.161 4.561 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.05 1 P-O3'-C3' 125.646 4.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.555 3.689 1 P-O3'-C3' 124.855 4.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.411 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.408 -3.489 0 C5'-C4'-C3' 109.179 -3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.411 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C4'-C3' 111.323 5.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.601 0 P-O3'-C3' 124.279 3.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O5'-C5'-C4' 114.714 3.224 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.095 1 O3'-P-O5' 95.435 -4.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.325 2 O4'-C4'-C3' 110.43 4.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.51 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.759 1 O4'-C4'-C3' 109.903 4.303 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 2.97 0 C3'-C2'-C1' 98.541 -2.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.829 0 CA-C-O 120.564 0.221 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 p -77.62 5.21 9.59 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.414 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.93 174.92 13.52 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 0.0 110.658 -177.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -78.44 48.53 0.78 Allowed 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.393 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 165.34 54.49 Favored Pre-proline 0 CA--C 1.555 1.141 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.358 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -58.48 155.95 33.68 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.537 2.158 . . . . 0.0 112.542 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -90.63 157.76 17.3 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.08 177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.9 ptm -136.43 154.67 50.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.796 0.332 . . . . 0.0 110.378 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 53.7 t -71.2 159.16 35.15 Favored 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.912 176.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.91 25.24 10.07 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.939 178.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CD1' ' HD2' ' A' ' 12' ' ' PRO . 69.1 t80 -103.5 133.01 20.53 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.495 176.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' A' ' 11' ' ' TYR . 55.7 Cg_endo -71.45 1.57 5.41 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 C-N-CA 122.807 2.338 . . . . 0.0 113.546 -173.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.48 25.9 10.04 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 170.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.3 t -154.39 -87.33 0.05 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.592 0.357 . . . . 0.0 110.885 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.9 m120 46.84 42.12 11.55 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.892 -172.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -85.18 178.86 7.37 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 173.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.26 130.5 56.22 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.13 0.491 . . . . 0.0 111.422 -174.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.692 ' CD1' HD23 ' A' ' 24' ' ' LEU . 77.2 m-85 -113.7 162.91 15.69 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.878 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -115.84 -44.72 2.92 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 43.7 mmtm -85.67 120.16 26.8 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.8 tp -51.23 -44.16 61.63 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-O 120.72 0.295 . . . . 0.0 110.474 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 p -68.21 -41.35 81.44 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -69.5 -29.16 66.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.861 0.362 . . . . 0.0 110.139 -179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.21 -41.98 63.16 Favored 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.918 169.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -58.46 -44.41 89.23 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 122.322 -0.236 . . . . 0.0 110.735 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -38.51 85.82 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.639 174.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' CD2' ' CE1' ' A' ' 18' ' ' TYR . 37.7 t60 -57.85 -38.31 75.44 Favored 'General case' 0 C--N 1.348 0.536 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 p -59.08 -35.23 73.04 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.095 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' NH1' ' H41' ' C' ' 144' ' ' ' DC' . 2.0 mmp_? -55.99 -38.62 70.69 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.001 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.81 -35.06 75.52 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.485 0.183 . . . . 0.0 111.015 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' CE1' ' CD2' ' A' ' 11' ' ' TYR . 26.3 m-70 -83.33 -26.41 30.59 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.218 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -53.58 -26.73 22.83 Favored 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.135 172.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' HA2' HH11 ' A' ' 50' ' ' ARG . . . -93.01 8.27 76.18 Favored Glycine 0 CA--C 1.541 1.686 0 C-N-CA 121.653 -0.308 . . . . 0.0 112.461 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -132.15 19.28 4.47 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 122.813 0.445 . . . . 0.0 110.69 -177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -71.43 116.54 48.4 Favored Pre-proline 0 CA--C 1.547 0.859 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -67.67 111.57 2.4 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.437 2.091 . . . . 0.0 112.673 -177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.747 ' HB3' HD22 ' A' ' 54' ' ' LEU . 51.6 m-85 -118.7 166.82 12.29 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.586 172.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -132.46 151.62 51.83 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.2 t -47.17 129.87 12.58 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-O 121.081 0.467 . . . . 0.0 111.316 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -72.33 -12.5 61.16 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -60.65 -24.62 65.71 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.895 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.69 -43.67 0.55 Allowed 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 123.193 0.597 . . . . 0.0 111.728 172.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -69.62 -18.82 63.63 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.702 0.287 . . . . 0.0 110.439 170.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -85.74 164.91 17.33 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -136.48 20.92 3.14 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -86.73 132.91 33.73 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 120.894 0.378 . . . . 0.0 110.171 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -108.08 153.22 23.44 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.404 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.6 m-85 -132.72 164.8 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.14 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -107.88 7.78 28.25 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 116.759 -0.2 . . . . 0.0 111.499 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.466 HH11 ' HA2' ' A' ' 33' ' ' GLY . 20.2 ttp180 -162.71 155.16 18.96 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 176.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.8 p -61.26 -31.96 71.77 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.22 -42.73 88.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.625 0.25 . . . . 0.0 111.05 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -65.77 -43.24 89.43 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.576 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.83 -48.26 77.49 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -63.69 -40.09 95.93 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 120.505 0.193 . . . . 0.0 110.927 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -57.26 -47.43 81.42 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 171.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.473 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 76.8 t60 -60.7 -37.96 83.42 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.146 -177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -53.34 -38.38 63.19 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 120.407 0.146 . . . . 0.0 111.073 176.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -55.52 -33.23 63.58 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 122.483 -0.136 . . . . 0.0 111.104 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -64.65 -38.77 92.13 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 122.106 0.162 . . . . 0.0 111.179 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -82.59 -31.32 29.0 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 120.558 0.218 . . . . 0.0 111.131 -176.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 17.3 p -82.6 -38.6 23.39 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.926 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.23 -1.95 43.7 Favored Glycine 0 CA--C 1.542 1.767 0 C-N-CA 121.436 -0.412 . . . . 0.0 112.63 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.47 144.43 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-O 121.109 0.48 . . . . 0.0 111.272 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -133.99 83.45 46.03 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.877 175.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.57 -15.34 17.43 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 C-N-CA 122.593 2.195 . . . . 0.0 113.746 -169.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' HB3' HD13 ' A' ' 82' ' ' LEU . 89.7 m-85 -92.24 101.06 13.55 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -178.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -105.71 135.22 47.52 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 120.773 0.32 . . . . 0.0 111.029 -177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.63 148.15 51.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.545 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -94.33 -2.77 51.62 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.76 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.25 -69.82 0.82 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 -177.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.7 p -83.58 -16.12 46.55 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.838 -0.165 . . . . 0.0 111.171 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 76.51 13.62 2.39 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.981 0.513 . . . . 0.0 111.41 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -78.97 141.86 37.15 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-O 120.751 0.31 . . . . 0.0 110.927 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.63 146.96 24.8 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.223 0.535 . . . . 0.0 111.42 -176.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -137.31 162.16 34.29 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.863 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 p -102.62 -3.01 27.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.839 -174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -138.75 129.0 25.63 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.03 0.443 . . . . 0.0 111.556 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.4 p -51.19 -43.92 61.45 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.138 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -62.24 -34.82 77.24 Favored 'General case' 0 CA--C 1.566 1.579 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.493 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.564 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.8 m170 -76.8 -35.16 57.81 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.159 177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.3 tt -68.16 -44.65 75.5 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -62.67 -34.27 76.77 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.641 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 42.4 m -69.59 -49.39 54.5 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.623 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -62.6 -31.13 71.91 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.0 m -54.08 -40.68 67.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 122.903 0.481 . . . . 0.0 110.544 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -61.86 -22.9 65.92 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.138 -178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.6 m -57.25 -42.07 80.82 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -91.06 -18.78 24.01 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.944 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 m -98.6 -3.38 36.38 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.597 -171.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.2 15.34 36.89 Favored Glycine 0 CA--C 1.547 2.073 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.604 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.88 88.58 5.86 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.51 83.99 14.27 Favored Pre-proline 0 N--CA 1.475 0.784 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.527 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.41 -25.7 2.48 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 122.55 2.167 . . . . 0.0 113.058 -176.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -74.97 78.62 2.17 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.051 0.453 . . . . 0.0 110.851 -174.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.6 m -80.77 146.1 31.16 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.838 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.454 ' HA ' HD11 ' A' ' 112' ' ' LEU . 20.8 t -70.56 161.32 30.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.114 0.483 . . . . 0.0 110.989 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -125.06 6.92 7.92 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.983 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -65.06 149.31 97.0 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-O 120.743 0.306 . . . . 0.0 110.459 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.52 12.58 0.51 Allowed 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 122.909 2.406 . . . . 0.0 113.316 -172.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -150.28 24.11 0.82 Allowed 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.113 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 46.8 t -138.6 151.35 47.18 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 121.139 0.495 . . . . 0.0 111.595 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -144.47 25.43 1.51 Allowed 'General case' 0 CA--C 1.553 1.065 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.987 169.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -74.33 148.4 41.36 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.055 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -128.5 145.08 51.21 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.0 0.428 . . . . 0.0 111.206 -171.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -125.3 162.79 23.97 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.12 -0.72 43.84 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -135.58 141.96 45.23 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.214 0.531 . . . . 0.0 110.881 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -59.02 -45.25 91.17 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.885 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -67.38 -33.65 75.66 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.409 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.61 -41.1 94.09 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -63.76 -43.97 94.83 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.744 174.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.6 t -57.97 -47.36 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.133 176.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -58.13 -46.5 85.5 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.588 177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -54.59 -49.81 69.53 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.799 177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -57.2 -37.78 72.7 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.856 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.98 -15.74 63.56 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.039 -178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 61.6 mtt -113.42 7.73 17.67 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.952 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.346 0.423 0 CA-C-O 120.646 0.26 . . . . 0.0 110.972 -173.489 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.521 0 C3'-C2'-C1' 98.623 -2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-C2' 104.07 -1.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 0 O4'-C4'-C3' 109.464 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 O4'-C4'-C3' 109.135 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.084 0 C5'-C4'-C3' 110.396 -2.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.564 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O5'--C5' 1.384 -3.513 1 O4'-C4'-C3' 110.13 4.53 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.613 0 O4'-C4'-C3' 108.616 3.016 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.639 4.598 0 O3'-P-O5' 97.026 -3.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C4'-C3' 110.822 5.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.551 -4.19 0 C3'-C2'-C1' 97.729 -3.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.415 ' C2 ' ' C4 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.618 4 C5'-C4'-C3' 104.97 -6.486 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.415 ' C4 ' ' C2 ' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.41 -1.601 0 C4'-C3'-C2' 99.213 -3.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.213 1 O4'-C4'-C3' 111.049 5.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.815 1 O4'-C4'-C3' 110.565 4.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O3'-P-O5' 97.028 -3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.372 0 P-O3'-C3' 123.712 3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 0 P-O3'-C3' 124.059 3.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.017 0 O4'-C4'-C3' 108.78 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.944 1 O4'-C4'-C3' 110.245 4.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.47 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.393 2 P-O3'-C3' 126.179 5.399 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.532 ' H41' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.402 -3.969 2 O3'-P-O5' 95.366 -4.544 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.251 0 P-O3'-C3' 124.068 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.634 4.102 2 P-O3'-C3' 125.736 5.03 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 0 O4'-C4'-C3' 109.018 3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.828 0 P-O3'-C3' 123.892 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.554 2.326 1 O4'-C4'-C3' 109.658 4.058 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.408 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.414 -2.885 1 O4'-C4'-C3' 110.371 4.771 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.408 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.541 0 O4'-C4'-C3' 108.143 2.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.728 0 O4'-C4'-C3' 109.425 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.015 0 O4'-C4'-C3' 109.381 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.396 1 O4'-C4'-C3' 109.645 4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.142 0 P-O3'-C3' 123.614 3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.574 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.685 0 O4'-C4'-C3' 109.555 3.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.574 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.793 0 C5'-C4'-O4' 103.059 -3.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.62 0.248 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -61.33 -20.61 63.16 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.339 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.38 -27.43 69.3 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.134 177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -81.27 74.18 8.28 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-O 120.933 0.397 . . . . 0.0 110.243 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -127.75 88.27 53.82 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.987 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.83 -33.5 71.47 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 122.756 2.304 . . . . 0.0 112.243 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' HB3' HD12 ' A' ' 24' ' ' LEU . 76.7 m-85 -138.91 147.67 42.63 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.367 170.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.43 151.03 49.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.86 0.362 . . . . 0.0 110.816 169.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.3 t -69.55 166.56 18.68 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.522 171.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -152.28 14.21 0.59 Allowed 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.106 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 57.8 t80 -63.43 148.57 93.44 Favored Pre-proline 0 CA--C 1.554 1.097 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 172.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 11' ' ' TYR . 97.4 Cg_exo -55.22 -10.23 2.91 Favored 'Trans proline' 0 CA--C 1.558 1.706 0 C-N-CA 122.744 2.296 . . . . 0.0 113.945 -174.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.2 10.86 8.21 Favored Glycine 0 CA--C 1.549 2.165 0 C-N-CA 121.608 -0.329 . . . . 0.0 112.916 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.5 t -143.17 168.0 20.79 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.247 0.546 . . . . 0.0 111.496 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.62 24.02 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.243 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.427 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -76.26 150.41 37.01 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -170.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -98.68 127.12 44.5 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.222 0.534 . . . . 0.0 111.533 -172.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 24' ' ' LEU . 50.0 m-85 -109.37 170.13 8.25 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.357 1.063 . . . . 0.0 110.218 175.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -115.67 -8.92 12.03 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.502 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.67 143.12 50.06 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.014 0.435 . . . . 0.0 111.477 -176.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.73 -56.64 17.48 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.794 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.0 p -67.89 -38.42 82.99 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.899 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -70.42 -29.94 66.68 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.411 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -73.69 -39.1 64.64 Favored 'General case' 0 CA--C 1.566 1.575 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.026 169.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -60.75 -38.56 85.6 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.193 -0.317 . . . . 0.0 110.426 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.31 -44.86 95.54 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 174.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.3 t60 -57.87 -41.32 82.24 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -59.1 -34.39 71.96 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.025 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -38.44 69.71 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.4 -36.66 69.16 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-O 120.838 0.351 . . . . 0.0 110.639 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -80.36 -20.75 43.41 Favored 'General case' 0 CA--C 1.553 1.069 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.797 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 47.7 p -74.17 -32.88 63.27 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.009 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.28 -19.29 72.21 Favored Glycine 0 CA--C 1.536 1.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.994 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -82.82 13.18 4.04 Favored 'General case' 0 CA--C 1.556 1.177 0 CA-C-O 120.817 0.342 . . . . 0.0 110.676 172.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -147.24 69.11 11.55 Favored Pre-proline 0 CA--C 1.561 1.38 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.054 169.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -85.44 179.51 3.95 Favored 'Trans proline' 0 CA--C 1.547 1.138 0 C-N-CA 123.159 2.573 . . . . 0.0 112.847 -172.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' HB3' HD22 ' A' ' 54' ' ' LEU . 33.7 m-85 -136.29 113.95 11.05 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.569 -176.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -88.61 136.28 33.08 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.864 173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.8 t -60.5 132.91 55.39 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.677 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -86.88 -4.41 59.17 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.231 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -65.06 116.26 6.28 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -13.67 39.1 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.038 -169.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.26 11.12 37.22 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-O 120.534 0.207 . . . . 0.0 111.195 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.9 t -120.62 -85.01 0.66 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 122.635 0.374 . . . . 0.0 110.557 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 65.37 26.03 12.03 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.737 0.415 . . . . 0.0 111.598 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.37 156.97 21.59 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.829 0.347 . . . . 0.0 110.263 170.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -110.85 144.39 39.95 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.021 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -129.88 139.47 51.15 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.912 177.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 p -91.23 10.5 26.89 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.465 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -149.06 144.83 26.94 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.809 0.338 . . . . 0.0 110.329 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.4 m -59.47 -44.44 93.01 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.738 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -34.04 74.33 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.18 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -72.12 -41.84 66.74 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.683 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 37' ' ' TYR . 60.5 tp -60.85 -45.38 94.75 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.54 -44.68 95.84 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.382 0.273 . . . . 0.0 111.183 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' NH1' HH11 ' A' ' 78' ' ' ARG . 39.7 ttp180 -59.08 -46.48 88.18 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.99 0.424 . . . . 0.0 110.272 174.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -61.1 -37.49 82.93 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.387 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -53.32 -27.12 21.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 122.468 -0.145 . . . . 0.0 111.293 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.99 -33.06 62.19 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 122.466 -0.146 . . . . 0.0 110.965 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.501 ' CZ ' " H2'" ' B' ' 129' ' ' ' DG' . 0.8 OUTLIER -68.0 -31.93 71.96 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-O 120.556 0.217 . . . . 0.0 111.051 178.418 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -87.72 -2.63 58.74 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.288 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 28.0 p -127.49 -2.65 6.15 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.442 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.91 16.94 57.74 Favored Glycine 0 CA--C 1.545 1.937 0 C-N-CA 121.649 -0.31 . . . . 0.0 113.449 171.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.84 140.9 15.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-N 117.099 0.45 . . . . 0.0 111.292 -174.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -130.75 88.79 45.24 Favored Pre-proline 0 N--CA 1.476 0.848 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.767 174.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 58.9 Cg_endo -76.63 -19.29 14.69 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.478 2.118 . . . . 0.0 113.531 -169.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.566 ' HB3' HD13 ' A' ' 82' ' ' LEU . 97.9 m-85 -85.24 136.08 33.66 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -124.5 139.78 53.56 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 116.943 -0.117 . . . . 0.0 110.847 176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.42 148.35 50.69 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.049 0.452 . . . . 0.0 110.403 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.4 -2.76 58.45 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.622 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -76.48 0.57 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.647 -172.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.16 1.08 52.0 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 120.606 0.241 . . . . 0.0 111.411 -178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 59.11 22.87 11.05 Favored 'General case' 0 CA--C 1.553 1.062 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.48 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.3 ttt-85 -72.19 134.4 45.65 Favored 'General case' 0 C--N 1.346 0.429 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -95.18 144.91 25.41 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 121.073 0.463 . . . . 0.0 111.144 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.85 161.09 36.21 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.603 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 49.1 p -98.59 -9.59 24.61 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.72 -174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.517 HH11 ' NH1' ' A' ' 56' ' ' ARG . 37.1 mtm180 -137.6 138.56 39.65 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.737 0.303 . . . . 0.0 110.808 178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 p -57.09 -38.57 73.54 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -58.81 -42.2 88.58 Favored 'General case' 0 CA--C 1.563 1.454 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.058 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.493 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 5.2 m-70 -67.3 -41.4 85.44 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.836 174.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -63.87 -47.18 81.71 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.474 0.178 . . . . 0.0 110.73 -178.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.95 -34.23 77.92 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.651 0.262 . . . . 0.0 110.655 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.8 m -66.2 -49.58 66.81 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.532 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -61.93 -34.87 76.88 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.9 m -54.22 -41.03 68.21 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.865 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.9 mtm-85 -62.01 -22.96 66.13 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 116.951 -0.113 . . . . 0.0 110.932 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.8 m -59.24 -46.2 89.14 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.338 0.255 . . . . 0.0 110.834 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -80.89 -18.66 46.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.737 0.303 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.1 m -91.88 -6.09 52.13 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.146 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.46 24.03 50.87 Favored Glycine 0 CA--C 1.545 1.941 0 C-N-CA 121.599 -0.334 . . . . 0.0 112.357 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -91.28 115.69 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.603 0.24 . . . . 0.0 111.016 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -125.15 83.42 60.7 Favored Pre-proline 0 CA--C 1.545 0.783 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.173 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 107' ' ' ALA . 91.4 Cg_endo -83.21 -17.87 6.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 122.624 2.216 . . . . 0.0 112.994 -174.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.1 m-85 -85.54 77.39 9.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.799 0.333 . . . . 0.0 110.729 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 77.6 p -85.45 143.16 28.74 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.965 0.412 . . . . 0.0 110.928 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.9 t -70.08 143.19 52.51 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 -176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -107.06 6.71 29.22 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.146 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.72 150.74 90.23 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 120.75 0.309 . . . . 0.0 110.65 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.43 22.91 0.32 Allowed 'Trans proline' 0 CA--C 1.55 1.311 0 C-N-CA 122.978 2.452 . . . . 0.0 113.161 -173.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.3 m -162.47 23.01 0.1 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 122.246 0.218 . . . . 0.0 110.997 176.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.6 t -146.65 158.29 43.88 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-O 120.988 0.423 . . . . 0.0 111.153 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -149.45 24.03 0.9 Allowed 'General case' 0 CA--C 1.558 1.281 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.133 170.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 134.83 57.49 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.336 -176.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 40.0 mttm -111.28 137.69 48.7 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.006 0.432 . . . . 0.0 111.465 -169.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -126.57 158.95 34.88 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.48 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.427 ' HA ' ' HD2' ' A' ' 94' ' ' PRO . . . -99.05 4.25 47.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.02 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -136.59 135.41 38.37 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.479 178.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.3 p -58.46 -41.49 85.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.599 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.35 -33.76 75.9 Favored 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.771 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -61.29 -42.93 99.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 174.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.52 -40.01 88.93 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.791 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.14 -45.83 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 174.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.88 -47.03 86.81 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.344 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -54.46 -49.95 68.85 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.771 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -57.65 -38.09 74.48 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.91 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -15.66 63.62 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.139 -178.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 62.4 mtt -113.0 4.62 16.81 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.344 0.34 0 CA-C-O 120.699 0.285 . . . . 0.0 110.978 -173.305 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.4 0 C5'-C4'-C3' 111.552 -2.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.63 0 O4'-C4'-C3' 107.554 1.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.408 0 C3'-C2'-C1' 98.124 -3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.106 0 C4'-C3'-C2' 104.972 1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.493 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.544 2.59 1 O5'-C5'-C4' 116.203 4.288 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.501 " H2'" ' CZ ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C4'--C3' 1.5 -2.77 1 O3'-P-O5' 95.377 -4.539 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 1 O4'-C4'-C3' 110.515 4.915 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.763 0 P-O3'-C3' 123.395 3.08 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.323 1 O4'-C4'-C3' 110.203 4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.278 1 O4'-C4'-C3' 110.394 4.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.451 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.401 -4.074 1 C5'-C4'-C3' 108.333 -4.244 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.451 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 P--O3' 1.642 2.935 0 O3'-P-O5' 96.652 -3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.032 1 O4'-C4'-C3' 110.194 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.309 0 O3'-P-O5' 97.15 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C4'-C3' 109.581 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.522 0 O4'-C4'-C3' 109.336 3.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.795 0 O4'-C4'-C3' 108.78 3.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 O4'-C4'-C3' 109.274 3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.938 1 O4'-C4'-C3' 110.983 5.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.424 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.57 1 P-O3'-C3' 125.01 4.425 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.424 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.409 -3.339 0 O4'-C4'-C3' 108.932 3.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.246 3 P-O3'-C3' 125.555 4.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.279 2 O5'-C5'-C4' 116.952 4.823 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 P-O3'-C3' 123.909 3.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . 0.408 " H1'" " H5'" ' C' ' 149' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.042 0 C4'-C3'-C2' 100.785 -2.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . 0.408 " H5'" " H1'" ' C' ' 148' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 P-O3'-C3' 124.107 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.651 3.705 1 C5'-C4'-O4' 102.724 -4.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.904 0 P-O3'-C3' 123.639 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.217 0 O4'-C1'-C2' 103.008 -2.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.545 2.744 1 O3'-P-O5' 96.162 -4.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.57 1 O4'-C4'-C3' 110.476 4.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 0 O4'-C4'-C3' 109.318 3.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.533 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.125 0 O4'-C4'-C3' 108.283 2.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.533 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.05 0 C3'-C2'-C1' 99.46 -2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.493 0.187 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -76.43 -1.27 26.22 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.464 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -75.91 64.9 1.91 Allowed 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 120.869 0.366 . . . . 0.0 110.657 -178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -131.36 -10.37 3.66 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.404 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -156.2 162.24 27.87 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 122.37 0.268 . . . . 0.0 110.357 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -52.86 136.69 60.18 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.646 2.231 . . . . 0.0 112.347 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -72.15 156.26 39.37 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.2 ptm -136.61 156.45 48.54 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.94 0.4 . . . . 0.0 111.651 169.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.9 t -68.1 160.08 29.63 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.343 169.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -105.91 -23.92 12.56 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.623 -176.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -58.92 129.87 85.91 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.11 56.34 4.29 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 123.043 2.495 . . . . 0.0 112.747 -170.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.47 -28.63 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t -84.91 -69.68 0.63 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.523 0.329 . . . . 0.0 110.401 172.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.26 40.1 1.11 Allowed 'General case' 0 CA--C 1.56 1.357 0 C-N-CA 123.168 0.587 . . . . 0.0 111.62 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -78.16 155.65 30.32 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.554 175.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -102.8 132.15 49.18 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.105 0.479 . . . . 0.0 111.288 -174.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.69 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.4 m-85 -118.53 169.48 9.75 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.909 -173.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -116.95 -51.96 2.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.186 -176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 23' ' ' HIS . 44.5 mttp -79.29 113.24 17.26 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.856 0.36 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -48.64 -47.29 40.42 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.409 -175.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.4 p -68.21 -35.66 78.32 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.434 ' CG ' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.3 -32.9 73.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 120.744 -0.383 . . . . 0.0 109.988 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -71.62 -44.13 64.93 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.235 171.162 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -58.16 -38.52 76.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.653 0.263 . . . . 0.0 110.504 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -41.68 87.47 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.723 173.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -57.95 -38.76 76.56 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 120.579 0.228 . . . . 0.0 110.593 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 t -59.12 -34.65 72.29 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.136 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.654 HH22 ' N4 ' ' C' ' 144' ' ' ' DC' . 3.6 tpp180 -55.6 -38.29 69.24 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 110.592 -0.151 . . . . 0.0 110.592 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -39.31 73.31 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.112 0.257 . . . . 0.0 110.857 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -79.69 -32.5 41.39 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.478 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.457 HG21 ' NH1' ' A' ' 29' ' ' ARG . 44.3 p -56.95 -20.25 22.56 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.52 177.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.86 3.57 86.91 Favored Glycine 0 CA--C 1.549 2.164 0 C-N-CA 121.502 -0.38 . . . . 0.0 112.472 174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -116.2 50.01 1.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.903 0.481 . . . . 0.0 110.572 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.23 93.4 11.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.543 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 98.78 1.03 Allowed 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.717 2.278 . . . . 0.0 112.645 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.4 m-85 -102.87 172.05 7.05 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.49 170.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.54 152.26 51.65 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 173.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.3 t -48.29 137.45 11.0 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.966 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -86.3 -2.05 58.05 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.317 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -69.71 152.98 44.02 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.103 0.478 . . . . 0.0 110.982 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -74.31 -11.9 60.39 Favored 'General case' 0 CA--C 1.552 1.052 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.683 -173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -138.4 38.94 2.27 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 120.647 0.26 . . . . 0.0 111.103 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 49.7 t -137.39 165.45 26.19 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 110.68 176.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -149.29 20.69 0.95 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.869 177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.87 124.78 25.13 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-O 120.727 0.299 . . . . 0.0 110.256 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -95.73 151.12 19.65 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.0 m-85 -134.59 164.76 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.961 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 t -109.54 5.44 23.17 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 81.7 mtm-85 -151.28 157.21 42.25 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 172.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -59.33 -41.45 89.15 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -67.69 -36.57 80.93 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.342 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -63.92 -44.29 93.35 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.699 0.285 . . . . 0.0 110.478 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.9 tp -65.83 -45.91 80.52 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.983 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -61.05 -39.25 89.09 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.808 179.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -47.37 86.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.312 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.419 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 61.2 t60 -60.78 -37.94 83.59 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.157 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -53.24 -37.92 62.51 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.932 177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -55.3 -33.18 63.05 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 122.489 -0.132 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -60.64 -36.99 80.03 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-O 120.495 0.188 . . . . 0.0 111.173 176.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -89.1 -30.33 18.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.265 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.9 p -90.3 -19.37 24.15 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.229 -176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.79 2.75 88.73 Favored Glycine 0 CA--C 1.543 1.839 0 C-N-CA 121.774 -0.251 . . . . 0.0 113.016 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.6 m -71.62 145.52 12.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-O 121.084 0.469 . . . . 0.0 111.01 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -132.37 83.89 53.46 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.269 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -65.5 -20.06 60.71 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.793 2.329 . . . . 0.0 113.456 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.766 ' HB3' HD13 ' A' ' 82' ' ' LEU . 42.7 m-85 -102.15 131.11 48.86 Favored 'General case' 0 C--O 1.211 -0.946 0 CA-C-O 120.471 0.177 . . . . 0.0 110.58 -175.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -124.29 141.55 51.98 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 120.563 0.221 . . . . 0.0 110.778 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.26 148.43 50.22 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.131 0.491 . . . . 0.0 110.474 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 3.11 52.67 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.865 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.35 -75.46 0.59 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.528 -173.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 27.6 p -89.92 2.99 54.42 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.394 -177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 63.01 19.97 11.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 122.653 0.381 . . . . 0.0 111.605 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.83 125.12 24.9 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 122.432 0.293 . . . . 0.0 110.688 178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -87.87 148.98 24.39 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.0 0.429 . . . . 0.0 111.062 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -143.98 155.89 44.2 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.197 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -95.74 -1.61 49.51 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.535 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtp180 -135.3 135.91 41.18 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.855 0.359 . . . . 0.0 110.803 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.6 p -62.16 -42.42 99.24 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.741 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.81 -36.1 82.79 Favored 'General case' 0 CA--C 1.558 1.272 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.278 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.466 ' CE1' ' C8 ' ' B' ' 128' ' ' ' DG' . 2.8 m-70 -67.25 -44.38 79.55 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 110.643 -0.132 . . . . 0.0 110.643 173.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.3 tt -64.39 -47.5 78.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.509 0.195 . . . . 0.0 110.8 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -61.03 -34.29 74.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.328 0.251 . . . . 0.0 110.574 176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.2 m -69.78 -49.67 50.62 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.755 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -61.54 -33.57 74.06 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.764 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.6 m -54.12 -41.11 67.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.674 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.412 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 59.3 mtt180 -62.63 -23.13 66.91 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.609 -176.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -62.23 -26.87 68.61 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 120.435 0.16 . . . . 0.0 110.666 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -94.76 -27.68 15.67 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.34 177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 21.3 p -91.79 -6.24 52.09 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.94 9.09 45.33 Favored Glycine 0 CA--C 1.551 2.289 0 C-N-CA 121.386 -0.435 . . . . 0.0 112.796 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -69.94 94.19 0.83 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -118.07 76.65 11.85 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.46 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -77.56 -20.34 12.31 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.543 2.162 . . . . 0.0 112.815 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -81.1 74.39 8.1 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.069 0.461 . . . . 0.0 110.656 -178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -78.99 145.92 33.66 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.617 176.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.423 ' HA ' HD11 ' A' ' 112' ' ' LEU . 6.0 t -71.72 120.02 16.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.619 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -88.42 6.96 34.99 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.429 -174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -63.27 144.79 97.39 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 120.658 0.266 . . . . 0.0 110.738 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.72 30.12 0.35 Allowed 'Trans proline' 0 CA--C 1.551 1.367 0 C-N-CA 123.089 2.526 . . . . 0.0 112.681 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -163.73 22.05 0.07 Allowed 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.926 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 26.6 t -141.15 172.33 12.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.151 0.5 . . . . 0.0 111.126 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.46 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 3.3 tp-100 -165.95 24.83 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.552 175.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -75.81 150.02 37.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -128.48 142.16 51.17 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.847 0.356 . . . . 0.0 111.043 -172.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -129.89 159.65 35.97 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.812 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.98 0.95 42.09 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.085 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -133.72 140.71 47.17 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.182 0.515 . . . . 0.0 110.813 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 p -59.9 -44.5 94.22 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.047 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -67.4 -33.71 75.76 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.447 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.68 -41.85 95.93 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.7 tp -65.58 -41.83 92.42 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.997 175.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.2 t -58.03 -46.47 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 CA-C-O 120.901 0.382 . . . . 0.0 110.069 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -59.46 -46.63 88.23 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.487 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -59.95 -44.3 94.5 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.022 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -56.66 -33.4 66.34 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.784 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -16.34 63.81 Favored 'General case' 0 CA--C 1.56 1.355 0 CA-C-N 116.974 -0.103 . . . . 0.0 111.183 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 47.2 mtt -81.67 -12.58 58.61 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-O 120.499 0.19 . . . . 0.0 111.028 175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 . . . . . 0 C--N 1.344 0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.343 176.874 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.629 0 O4'-C4'-C3' 108.966 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.411 0 O4'-C4'-C3' 109.148 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.551 0 C1'-O4'-C4' 105.093 -3.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.315 0 P-O3'-C3' 124.006 3.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.466 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C4'--C3' 1.613 8.48 2 C5'-C4'-C3' 105.105 -6.396 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.443 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.631 3.811 2 O3'-P-O5' 91.814 -6.414 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.786 1 P-O3'-C3' 125.839 5.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.246 0 O3'-P-O5' 98.068 -3.122 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.176 0 O4'-C4'-C3' 109.4 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 3 C4'-C3'-C2' 97.931 -5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.473 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.493 -2.527 4 O4'-C4'-C3' 110.461 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.473 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.554 3.615 0 O3'-P-O5' 99.52 -2.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.579 6.131 1 C5'-C4'-C3' 107.606 -4.73 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.042 1 O4'-C4'-C3' 109.927 4.327 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.832 0 O3'-P-O5' 96.499 -3.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 0 C4'-C3'-C2' 99.539 -3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.036 0 O4'-C4'-C3' 109.026 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.222 0 O4'-C4'-C3' 108.237 2.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.06 1 O4'-C4'-C3' 110.001 4.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 P-O3'-C3' 124.26 3.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.654 ' N4 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 1 O4'--C4' 1.4 -4.193 1 P-O3'-C3' 125.078 4.481 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . 0.41 ' H62' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 O4'--C4' 1.406 -3.658 1 P-O3'-C3' 125.173 4.561 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O5'-C5'-C4' 115.445 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.059 0 O4'-C4'-C3' 109.131 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.643 2.972 1 P-O3'-C3' 125.47 4.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.068 0 C5'-C4'-C3' 108.784 -3.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.419 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.622 2.857 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.419 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.82 0 C4'-C3'-C2' 100.634 -2.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.471 0 O4'-C4'-C3' 108.894 3.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.558 4.021 0 O4'-C1'-C2' 101.812 -3.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.636 0 O3'-P-O5' 97.909 -3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.231 0 P-O3'-C3' 124.084 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.572 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.407 0 O4'-C4'-C3' 109.218 3.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.572 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 3.044 0 O4'-C4'-C3' 108.803 3.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.98 0 CA-C-O 120.694 0.283 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 m -165.16 148.17 8.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.716 0.293 . . . . 0.0 110.629 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -88.19 167.57 13.49 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.649 175.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -126.98 19.58 7.07 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.241 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -64.28 160.07 52.9 Favored Pre-proline 0 CA--C 1.553 1.086 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.446 174.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -66.95 95.94 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.058 0 C-N-CA 122.421 2.081 . . . . 0.0 112.146 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -88.8 152.22 21.9 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.643 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.2 ptm -136.57 146.12 45.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 168.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.9 t -64.59 157.98 25.54 Favored 'General case' 0 CA--C 1.559 1.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.508 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.94 -10.68 16.5 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -79.4 134.61 58.23 Favored Pre-proline 0 CA--C 1.55 0.963 0 CA-C-O 120.669 0.271 . . . . 0.0 110.885 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.66 152.21 82.76 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 122.396 2.064 . . . . 0.0 111.885 176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.3 -7.13 54.78 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.242 -0.504 . . . . 0.0 112.225 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.6 t -128.93 -87.45 0.54 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 122.53 0.332 . . . . 0.0 110.384 177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.8 m120 51.14 26.61 2.95 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 122.883 0.473 . . . . 0.0 111.584 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -74.32 159.26 32.65 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 120.844 0.354 . . . . 0.0 111.036 -175.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -98.74 134.64 41.36 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.416 -171.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.721 ' CD1' HD23 ' A' ' 24' ' ' LEU . 89.7 m-85 -119.91 165.47 14.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.626 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -132.64 5.79 4.01 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.853 -174.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 71.8 mttt -143.74 98.84 3.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.272 0.229 . . . . 0.0 110.604 178.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.11 -42.22 1.4 Allowed 'General case' 0 N--CA 1.491 1.585 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.656 -170.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -43.65 77.37 Favored 'General case' 0 N--CA 1.508 2.458 0 CA-C-O 120.97 0.414 . . . . 0.0 112.082 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -59.41 -45.18 92.24 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -62.13 -34.19 75.9 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.47 171.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -58.26 -47.2 84.36 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 122.096 -0.377 . . . . 0.0 110.261 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.1 tpt -57.89 -46.13 85.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.48 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -57.98 -41.07 82.18 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 120.705 0.288 . . . . 0.0 110.674 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.4 p -59.18 -35.13 73.01 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.591 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 ttm105 -55.94 -38.55 70.46 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.798 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -56.57 -36.15 68.98 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.048 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -89.67 -28.72 19.27 Favored 'General case' 0 C--O 1.212 -0.92 0 CA-C-O 119.469 -0.3 . . . . 0.0 111.752 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 p -44.46 -29.47 0.71 Allowed 'General case' 0 N--CA 1.507 2.385 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.3 33.71 1.54 Allowed Glycine 0 CA--C 1.554 2.515 0 C-N-CA 121.376 -0.44 . . . . 0.0 112.712 176.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -109.82 -32.79 6.94 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 116.846 0.323 . . . . 0.0 111.78 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -42.6 108.32 0.62 Allowed Pre-proline 0 N--CA 1.493 1.689 0 C-N-CA 122.679 0.392 . . . . 0.0 111.67 -169.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -80.3 85.17 1.87 Allowed 'Trans proline' 0 CA--C 1.547 1.127 0 C-N-CA 122.776 2.317 . . . . 0.0 112.835 -174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HB3' HD22 ' A' ' 54' ' ' LEU . 70.7 m-85 -73.38 171.5 12.97 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.006 169.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -129.13 157.89 40.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -54.23 130.93 40.42 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.184 0.516 . . . . 0.0 111.12 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -77.46 -4.69 46.77 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.361 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -71.32 -19.59 62.29 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 116.856 -0.156 . . . . 0.0 111.041 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt 72.65 -44.7 0.6 Allowed 'General case' 0 N--CA 1.503 2.187 0 C-N-CA 123.427 0.691 . . . . 0.0 111.701 175.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -75.85 -20.34 58.19 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.592 0.234 . . . . 0.0 110.85 175.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -79.79 167.55 20.45 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.368 173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.91 29.43 3.14 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.947 -177.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -94.82 165.47 12.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.993 0.425 . . . . 0.0 110.707 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.32 151.33 43.5 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.615 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -136.98 139.4 41.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.437 -175.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.8 p -84.0 1.69 42.52 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.714 -174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.6 mtm-85 -146.3 147.03 30.95 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.972 0.415 . . . . 0.0 111.005 176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.9 t -59.36 -41.83 90.16 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.3 -37.21 86.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.335 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.494 HE22 ' NH1' ' A' ' 56' ' ' ARG . 46.9 tp60 -69.14 -37.46 78.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 120.633 0.254 . . . . 0.0 110.599 177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.7 tp -67.22 -40.87 86.44 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.747 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -64.55 -36.4 84.09 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 120.471 0.177 . . . . 0.0 110.778 176.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' NH1' HE22 ' A' ' 53' ' ' GLN . 22.6 ttm180 -62.31 -47.72 83.04 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 171.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 79.2 t60 -60.76 -38.39 85.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.302 -178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -53.3 -38.46 63.17 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.147 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -33.3 71.96 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 122.456 -0.152 . . . . 0.0 110.929 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -57.17 -31.65 65.62 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 120.468 0.175 . . . . 0.0 111.043 174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -102.6 -2.7 27.9 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -132.08 -9.69 3.4 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -171.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.69 -107.32 2.14 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.5 t 65.81 -68.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 C-N-CA 123.348 0.659 . . . . 0.0 111.696 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 45.67 72.92 1.08 Allowed Pre-proline 0 N--CA 1.488 1.455 0 C-N-CA 122.891 0.476 . . . . 0.0 110.682 -172.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.82 -17.78 32.5 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.853 2.368 . . . . 0.0 113.692 -169.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.687 ' HB3' HD13 ' A' ' 82' ' ' LEU . 92.5 m-85 -83.53 124.28 30.59 Favored 'General case' 0 C--O 1.209 -1.036 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 174.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -124.29 134.16 53.28 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 122.326 -0.234 . . . . 0.0 110.487 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 50.6 t -64.76 124.45 21.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.08 0.467 . . . . 0.0 110.576 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -5.05 43.02 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.533 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -48.05 7.23 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.487 0.184 . . . . 0.0 110.588 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 73' ' ' GLN . 11.4 p -115.51 -79.46 0.59 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.666 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 167.12 4.89 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.797 1.239 . . . . 0.0 110.109 -178.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.75 110.27 0.77 Allowed 'General case' 0 C--N 1.349 0.579 0 C-N-CA 122.818 0.447 . . . . 0.0 110.666 -175.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -87.72 139.09 30.89 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.162 0.506 . . . . 0.0 110.918 -174.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -132.93 158.81 41.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.318 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.2 t -95.28 -4.32 45.85 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.422 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -138.09 141.12 40.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.2 p -62.35 -40.06 95.16 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.723 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -60.93 -37.49 82.51 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.304 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.469 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.5 m-70 -69.34 -44.46 71.57 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 120.436 0.16 . . . . 0.0 110.644 172.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.1 tt -64.77 -44.83 88.77 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.424 0.154 . . . . 0.0 110.942 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -65.92 -34.43 78.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.564 0.221 . . . . 0.0 110.569 176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.4 m -63.6 -49.36 73.66 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.484 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.434 ' O ' ' HB ' ' A' ' 88' ' ' THR . 72.0 t60 -62.12 -36.01 80.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.816 175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.3 m -57.99 -41.7 83.59 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.501 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 86.6 mtm-85 -67.6 -23.81 65.42 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 122.429 -0.169 . . . . 0.0 110.828 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 85' ' ' HIS . 99.8 m -71.89 -30.49 65.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.793 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -84.4 -24.6 29.55 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.656 0.265 . . . . 0.0 110.566 173.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.6 m -91.72 -6.1 52.53 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.65 17.39 53.83 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.172 -175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -79.06 93.02 5.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.597 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -118.06 79.73 14.43 Favored Pre-proline 0 CA--C 1.55 0.968 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.641 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -81.0 -19.15 8.46 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.746 2.297 . . . . 0.0 113.181 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -78.53 77.8 5.01 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.962 0.41 . . . . 0.0 110.729 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.9 t -78.79 145.87 34.1 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.771 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.28 161.1 31.0 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.551 172.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -117.37 -3.47 11.42 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.994 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -69.3 127.02 93.08 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 174.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.48 -14.2 36.59 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 122.563 2.175 . . . . 0.0 113.018 -170.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.2 p -101.75 18.66 19.88 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.355 0.262 . . . . 0.0 111.151 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.7 t -140.33 -86.42 0.2 Allowed 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.276 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 61.74 39.14 14.47 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.794 0.438 . . . . 0.0 111.379 -175.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.82 160.58 29.82 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 170.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -124.31 140.37 53.02 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -128.89 161.02 30.82 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.672 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.44 0.61 40.06 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.055 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -135.86 139.18 43.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 121.151 0.5 . . . . 0.0 110.897 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.8 t -59.36 -42.89 92.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.987 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -67.39 -33.8 75.94 Favored 'General case' 0 CA--C 1.553 1.066 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.429 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -60.66 -43.28 97.83 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.4 tp -63.73 -42.62 97.86 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.858 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 79.4 t -58.17 -47.58 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 CA-C-O 120.681 0.277 . . . . 0.0 110.401 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -62.37 -46.89 86.59 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.259 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -55.37 -45.3 76.56 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.132 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -59.09 -33.57 70.98 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.546 0.212 . . . . 0.0 111.019 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.57 -15.66 62.28 Favored 'General case' 0 CA--C 1.555 1.139 0 O-C-N 122.413 -0.179 . . . . 0.0 111.107 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 46.1 mtt -80.22 -7.8 59.15 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 120.369 0.128 . . . . 0.0 111.089 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.349 0.55 0 CA-C-O 120.775 0.321 . . . . 0.0 110.464 176.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . 0.407 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.112 0 C3'-C2'-C1' 99.343 -2.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . 0.407 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 0 P--O3' 1.641 2.82 0 P-O3'-C3' 122.58 2.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.802 2 C3'-C2'-C1' 96.119 -4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.484 0 P-O3'-C3' 124.0 3.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.44 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.42 -2.365 0 O4'-C4'-C3' 108.114 2.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.469 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.54 3.668 0 O3'-P-O5' 98.338 -2.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.07 1 O4'-C4'-C3' 110.429 4.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.299 0 C5'-C4'-C3' 109.742 -3.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.357 1 O4'-C4'-C3' 109.614 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.433 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.621 3 C4'-C3'-C2' 96.426 -6.774 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.549 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 4 P--O5' 1.659 6.614 0 O4'-C1'-N19 110.668 3.585 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.549 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 P--O5' 1.565 -2.798 3 C4'-C3'-C2' 97.368 -5.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.552 5.143 1 O4'-C4'-C3' 109.979 4.379 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.65 5.654 2 O4'-C4'-C3' 110.95 5.35 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.399 1 O3'-P-O5' 94.31 -5.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 P-O3'-C3' 124.243 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.021 0 P-O3'-C3' 123.971 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.348 0 O4'-C4'-C3' 107.553 1.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.425 2 O5'-C5'-C4' 116.448 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.451 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.324 1 P-O3'-C3' 125.019 4.432 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.451 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 1 P--O5' 1.644 5.144 0 C4'-C3'-O3' 102.12 -3.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.531 0 P-O3'-C3' 123.709 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . 0.494 ' H1 ' ' H42' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.404 -3.833 2 O5'-C5'-C4' 116.792 4.709 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.681 0 O4'-C4'-C3' 109.141 3.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.635 2.308 0 P-O3'-C3' 123.693 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.367 0 C5'-C4'-C3' 109.192 -3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.405 -2.013 1 O4'-C4'-C3' 109.774 4.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C4'-C3' 108.579 2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.087 0 P-O3'-C3' 123.478 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.859 0 O4'-C4'-C3' 108.8 3.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C4'-C3' 110.677 5.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.864 0 O4'-C4'-C3' 108.884 3.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.546 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.505 0 C5'-C4'-C3' 109.011 -3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.546 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.542 3.845 0 O4'-C4'-C3' 109.285 3.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.919 0 CA-C-O 120.67 0.271 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -166.55 168.42 14.65 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -138.89 163.96 30.93 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.657 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.41 65.49 2.97 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-O 121.012 0.434 . . . . 0.0 110.567 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -126.74 87.03 57.39 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.594 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -73.66 177.73 7.65 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 122.723 2.282 . . . . 0.0 112.235 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -94.95 150.43 20.17 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.914 172.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.9 mtp -136.45 150.3 48.66 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 121.997 -0.439 . . . . 0.0 110.011 168.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 43.8 t -71.05 158.36 36.63 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.66 -28.24 11.35 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -56.21 138.77 73.56 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.119 -175.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -64.19 151.82 83.78 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.475 2.117 . . . . 0.0 112.19 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.91 -26.65 2.04 Favored Glycine 0 CA--C 1.545 1.968 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.422 -177.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.6 t -96.48 -88.53 0.28 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 122.426 0.291 . . . . 0.0 110.471 176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.9 m120 46.42 38.66 5.58 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.263 -175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -86.72 164.07 16.96 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.55 148.27 26.17 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.27 0.557 . . . . 0.0 111.646 -172.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.764 ' CD2' HD23 ' A' ' 24' ' ' LEU . 98.2 m-85 -135.41 160.47 38.36 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.579 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -116.57 -50.72 2.61 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -77.17 123.89 27.05 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.635 176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.48 -47.0 66.8 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.438 175.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.4 p -68.07 -36.07 79.23 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -34.93 69.22 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -69.08 -32.28 71.62 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.998 169.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -65.57 -40.94 93.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 122.272 -0.267 . . . . 0.0 110.645 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.92 -42.58 94.58 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 172.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -57.94 -45.03 87.22 Favored 'General case' 0 C--N 1.345 0.388 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.0 m -59.18 -35.0 72.79 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.09 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' HA ' ' HB ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -55.71 -38.17 69.37 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.543 0.211 . . . . 0.0 110.697 177.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.23 -38.77 71.51 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.212 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -87.21 -33.97 19.15 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.551 0.215 . . . . 0.0 110.877 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' HA ' ' A' ' 29' ' ' ARG . 0.8 OUTLIER -49.06 -32.2 9.13 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.926 171.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.13 -38.74 29.08 Favored Glycine 0 CA--C 1.544 1.852 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -77.65 69.81 3.94 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 120.695 0.284 . . . . 0.0 111.382 177.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.37 117.56 68.26 Favored Pre-proline 0 CA--C 1.551 1.01 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 171.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.84 148.55 28.5 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.499 2.133 . . . . 0.0 112.907 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -148.54 178.8 8.31 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.759 176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.59 155.72 48.18 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.971 169.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 t -49.1 132.68 19.14 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -93.5 3.86 54.89 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -65.45 154.52 38.27 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.964 0.411 . . . . 0.0 110.756 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 ttpp -70.88 -12.26 61.44 Favored 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.866 -172.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -142.81 43.09 1.59 Allowed 'General case' 0 CA--C 1.551 0.999 0 CA-C-O 120.618 0.247 . . . . 0.0 111.229 -176.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -145.44 166.44 25.64 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.17 0.51 . . . . 0.0 110.919 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -152.36 22.11 0.63 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.618 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -65.72 128.43 35.95 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.14 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.03 148.94 23.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.016 0.436 . . . . 0.0 110.844 -174.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.0 m-85 -133.66 161.66 34.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.571 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 p -108.12 7.26 27.51 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -158.23 156.83 31.44 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.237 0.541 . . . . 0.0 111.669 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 t -58.67 -44.48 90.22 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.022 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -67.85 -34.15 76.14 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.251 -176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.88 -46.23 88.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.683 0.278 . . . . 0.0 110.462 175.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.19 -45.58 84.23 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -64.08 -37.97 89.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.53 0.205 . . . . 0.0 110.853 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -61.2 -45.78 93.18 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.298 172.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.429 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 64.5 t60 -60.66 -39.56 88.83 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.875 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -53.32 -37.84 62.65 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.125 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -55.17 -33.35 62.91 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 122.291 -0.255 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -66.69 -38.42 86.75 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.11 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -82.26 -31.31 30.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.591 0.234 . . . . 0.0 111.083 -176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 16.8 p -79.01 -49.74 12.21 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.772 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.22 -3.39 25.3 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.217 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.7 p -72.74 138.88 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.074 0.464 . . . . 0.0 111.424 -173.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -138.78 80.85 24.14 Favored Pre-proline 0 CA--C 1.552 1.039 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.301 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.48 -19.82 9.94 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 122.654 2.236 . . . . 0.0 113.279 -171.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.54 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.1 m-85 -83.84 92.76 7.84 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.621 0.248 . . . . 0.0 110.345 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -98.91 135.46 40.3 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 120.755 0.312 . . . . 0.0 110.871 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.62 148.15 51.49 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.464 171.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -98.47 8.15 45.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.75 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.56 -59.8 1.97 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.555 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 73' ' ' GLN . 29.5 p -99.56 -22.15 15.59 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.281 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 72' ' ' CYS . 0.0 OUTLIER 91.26 6.18 0.08 Allowed 'General case' 0 N--CA 1.503 2.182 0 C-N-CA 123.801 0.841 . . . . 0.0 111.198 -179.091 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -61.68 128.09 34.58 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.739 0.304 . . . . 0.0 110.62 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -99.57 138.4 36.71 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.944 -177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -130.28 163.12 27.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.223 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -105.63 3.12 28.82 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.21 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -138.49 122.04 17.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 -175.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.2 p -51.92 -42.08 62.51 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.915 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.37 -34.88 74.51 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.393 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.451 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.0 m-70 -73.42 -39.63 64.88 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.807 175.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.9 tt -68.11 -42.72 79.84 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 120.425 0.155 . . . . 0.0 110.925 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.38 -39.8 95.49 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 120.695 0.283 . . . . 0.0 110.416 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.7 m -62.93 -49.5 74.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.559 175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -62.46 -34.87 77.67 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.074 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 51.7 m -54.31 -41.35 68.86 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.676 177.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -65.06 -22.82 67.03 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.376 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.1 p -68.29 -30.16 69.1 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.908 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -93.66 -20.54 20.08 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 120.814 0.34 . . . . 0.0 110.747 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 m -97.56 4.85 50.19 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 48.8 26.46 5.64 Favored Glycine 0 CA--C 1.547 2.043 0 C-N-CA 121.437 -0.411 . . . . 0.0 112.613 -177.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.26 92.21 9.07 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 120.892 0.377 . . . . 0.0 110.916 -169.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -113.66 87.43 12.01 Favored Pre-proline 0 CA--C 1.553 1.073 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -87.17 -21.98 1.85 Allowed 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 122.65 2.233 . . . . 0.0 112.985 -176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.7 m-85 -79.6 79.37 6.08 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 120.853 0.358 . . . . 0.0 110.842 -175.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 t -81.75 143.01 32.12 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.068 -179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.6 t -70.48 161.21 30.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.3 0.571 . . . . 0.0 111.149 177.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 65.4 mmt-85 -131.89 14.5 4.8 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.754 -176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.74 163.76 52.2 Favored Pre-proline 0 CA--C 1.551 0.993 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.672 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -48.34 107.23 0.13 Allowed 'Trans proline' 0 CA--C 1.543 0.965 0 C-N-CA 123.006 2.471 . . . . 0.0 112.944 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t 65.66 16.84 10.68 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.158 176.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 34.6 t -88.75 164.56 15.21 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.174 0.511 . . . . 0.0 110.933 174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.403 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 5.0 tp-100 -165.43 29.28 0.06 Allowed 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.425 173.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.2 mttp -71.16 128.2 35.11 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.146 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -105.5 142.26 35.56 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.25 -171.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -127.05 159.37 34.37 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.653 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.66 4.03 42.92 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -138.73 136.21 35.53 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 110.406 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.415 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.4 p -58.22 -42.99 87.47 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.8 -177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -67.21 -33.52 75.54 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.676 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -60.53 -41.24 94.05 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 57.4 tp -63.07 -45.4 92.34 Favored 'General case' 0 CA--C 1.551 0.994 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.599 173.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -57.91 -43.36 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.406 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -62.22 -46.54 88.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.611 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -54.44 -49.72 69.35 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.664 178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -56.73 -39.1 73.32 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.777 176.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -17.31 63.29 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 120.569 0.223 . . . . 0.0 111.115 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 95.7 mtp -108.07 6.16 26.7 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 122.478 0.311 . . . . 0.0 110.935 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 120.733 0.302 . . . . 0.0 111.047 -172.741 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.013 0 C3'-C2'-C1' 98.828 -2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 1 O4'-C4'-C3' 110.038 4.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.036 0 C3'-C2'-C1' 97.959 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 0 C4'-C3'-C2' 105.206 2.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.438 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C3'--C2' 1.545 2.731 0 O4'-C1'-C2' 102.571 -3.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.451 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.849 0 C2'-C3'-O3' 118.937 3.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.357 1 P-O3'-C3' 124.841 4.284 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.396 -2.661 0 O3'-P-O5' 98.436 -2.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O3'-P-O5' 97.726 -3.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.376 -3.386 2 C4'-C3'-C2' 98.452 -4.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.412 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.394 -4.762 2 C5'-C4'-C3' 104.291 -6.939 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.436 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 P--O3' 1.655 4.022 0 O4'-C1'-C2' 101.945 -3.778 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . 0.436 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 0 P--O5' 1.624 3.069 0 O4'-C1'-C2' 110.029 3.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.862 0 P-O3'-C3' 123.624 3.27 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 2 O4'-C4'-C3' 111.112 5.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.914 0 O3'-P-O5' 96.405 -3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.638 2.598 1 P-O3'-C3' 125.673 4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C4'-C3' 109.341 3.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.285 0 P-O3'-C3' 124.176 3.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.428 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.561 3.297 1 P-O3'-C3' 125.028 4.44 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.428 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.541 3.688 1 P-O3'-C3' 126.009 5.257 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.803 0 O4'-C4'-C3' 108.776 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.36 2 P-O3'-C3' 125.598 4.915 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C4'-C3' 108.652 3.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.554 2.586 0 P-O3'-C3' 123.824 3.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O4'-C4'-C3' 109.144 3.544 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.45 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.628 3.506 1 O4'-C4'-C3' 111.901 6.301 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.45 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 1 P--O5' 1.636 4.316 1 O4'-C4'-C3' 109.713 4.113 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.641 1 P-O3'-C3' 125.08 4.483 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.552 3.377 2 O4'-C1'-C2' 100.976 -4.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.257 0 O3'-P-O5' 97.085 -3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.726 1 O4'-C4'-C3' 112.085 6.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.509 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O3' 1.627 1.641 0 O4'-C4'-C3' 108.936 3.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.509 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.544 4.09 0 C3'-C2'-C1' 99.266 -2.453 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -18.39 64.88 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.092 176.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -81.06 -3.64 52.58 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.641 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mtmt -68.41 -8.79 43.65 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.62 85.19 7.31 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 120.862 0.363 . . . . 0.0 110.499 170.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.92 -54.16 3.04 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.687 2.258 . . . . 0.0 112.436 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -118.95 152.33 36.54 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.872 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.4 ptm -136.63 154.15 50.73 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.753 0.311 . . . . 0.0 110.438 168.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 43.7 t -71.02 166.52 21.17 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.073 169.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -117.92 -15.71 9.96 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.143 179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -65.19 128.74 94.06 Favored Pre-proline 0 CA--C 1.553 1.08 0 CA-C-N 116.735 -0.211 . . . . 0.0 110.545 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -50.23 -38.25 51.0 Favored 'Trans proline' 0 C--N 1.361 1.23 0 C-N-CA 122.942 2.428 . . . . 0.0 113.188 -175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.47 9.48 49.32 Favored Glycine 0 CA--C 1.548 2.113 0 C-N-CA 121.443 -0.408 . . . . 0.0 112.906 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 t -140.01 -86.53 0.21 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.691 0.246 . . . . 0.0 110.845 -177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.94 21.5 10.53 Favored 'General case' 0 CA--C 1.562 1.42 0 C-N-CA 122.654 0.382 . . . . 0.0 111.154 -176.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -78.95 162.96 25.63 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-O 120.901 0.381 . . . . 0.0 110.946 -173.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.3 mmt-85 -98.83 131.04 45.24 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.34 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.701 ' CD1' HD23 ' A' ' 24' ' ' LEU . 79.8 m-85 -116.65 159.77 21.71 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.547 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -118.91 -10.43 9.89 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.771 -173.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 77.9 mttt -124.97 134.27 52.68 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.794 0.331 . . . . 0.0 110.446 177.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.64 -50.44 73.48 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 p -67.94 -35.81 79.05 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -68.33 -40.61 81.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.701 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.63 -39.01 80.94 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.427 171.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.26 -45.32 88.07 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.266 -0.271 . . . . 0.0 110.41 178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 14.6 tpt -64.33 -41.13 96.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.737 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -57.97 -38.86 76.82 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.596 0.236 . . . . 0.0 110.473 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 p -59.2 -35.21 73.2 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.771 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -56.02 -38.36 70.42 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.874 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.03 -38.97 77.21 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.828 -0.169 . . . . 0.0 110.989 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -80.0 -26.91 39.68 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.865 -0.152 . . . . 0.0 111.284 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.6 p -56.33 -32.79 65.01 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.396 169.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 6.37 70.13 Favored Glycine 0 CA--C 1.541 1.707 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.495 175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -127.17 11.89 7.05 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 122.78 0.432 . . . . 0.0 110.848 -177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 115.41 13.52 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 122.508 0.323 . . . . 0.0 110.783 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -76.61 95.5 1.05 Allowed 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 122.577 2.185 . . . . 0.0 112.608 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.657 ' HB3' HD22 ' A' ' 54' ' ' LEU . 96.4 m-85 -93.67 164.37 13.18 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.415 169.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.63 156.22 47.32 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.148 169.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -56.44 150.27 15.37 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -102.68 -0.93 31.01 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.742 -171.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 97.4 m-85 -75.36 155.47 36.45 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 111.231 -176.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -72.14 0.17 10.36 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.2 171.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -140.07 16.12 2.45 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.433 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 18.2 t -135.27 154.52 51.53 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 111.028 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -146.54 22.28 1.31 Allowed 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.521 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -73.81 132.86 43.01 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 120.819 0.342 . . . . 0.0 110.236 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -94.24 151.61 19.32 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.1 m-85 -135.55 162.51 32.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.17 177.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.4 m -103.2 0.44 31.69 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.643 -173.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -155.61 160.55 40.53 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.886 0.374 . . . . 0.0 110.97 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -44.56 96.28 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.681 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -64.45 -33.95 77.07 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' CD ' ' H41' ' B' ' 132' ' ' ' DC' . 55.0 mm-40 -70.49 -40.96 73.28 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.703 0.287 . . . . 0.0 110.769 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 37' ' ' TYR . 25.2 tp -65.26 -41.1 94.61 Favored 'General case' 0 CA--C 1.558 1.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.581 172.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.61 -36.87 85.64 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.543 0.211 . . . . 0.0 111.067 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -61.63 -47.44 85.41 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 171.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 84.5 t60 -60.9 -37.4 82.11 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.256 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -53.35 -38.07 62.96 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.719 -0.218 . . . . 0.0 110.866 175.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -55.35 -33.23 63.21 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 120.364 0.126 . . . . 0.0 111.045 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.9 ttt180 -65.11 -33.57 76.34 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.176 0.191 . . . . 0.0 111.197 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.51 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 46.9 m-70 -83.15 -38.44 22.37 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 120.732 0.301 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.8 p -86.77 -19.52 28.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.467 -173.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.81 2.4 70.37 Favored Glycine 0 CA--C 1.545 1.921 0 C-N-CA 121.576 -0.345 . . . . 0.0 112.467 -176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 76.4 t -71.19 108.34 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 120.915 0.388 . . . . 0.0 110.795 -176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -112.72 90.38 15.01 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.1 176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.85 -20.57 5.33 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.533 2.155 . . . . 0.0 113.367 -169.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.444 ' HB3' HD13 ' A' ' 82' ' ' LEU . 90.0 m-85 -81.37 80.25 7.81 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -90.73 133.94 34.79 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.039 0.447 . . . . 0.0 111.25 -174.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.69 124.62 22.4 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.261 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -10.05 6.16 Favored 'General case' 0 CA--C 1.558 1.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.79 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -64.83 1.1 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.19 0.196 . . . . 0.0 110.975 -173.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.3 p -106.01 2.66 27.54 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.456 -174.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 64.56 16.62 10.41 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.85 0.46 . . . . 0.0 111.816 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -65.65 121.94 16.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.67 0.271 . . . . 0.0 110.531 173.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -87.87 123.82 33.02 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.946 0.403 . . . . 0.0 110.946 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -114.1 162.47 16.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.448 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.9 p -99.42 -10.21 22.5 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.665 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -135.15 147.27 49.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 121.013 0.435 . . . . 0.0 111.323 -175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.9 p -68.67 -39.19 80.72 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.899 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -63.17 -34.97 78.78 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.272 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.566 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.5 m170 -76.1 -38.43 56.95 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.849 176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.7 tt -66.13 -41.76 90.04 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 120.539 0.209 . . . . 0.0 110.752 175.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -65.86 -36.27 82.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.747 0.308 . . . . 0.0 110.603 175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -66.61 -49.27 66.85 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.632 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -61.96 -34.92 77.01 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.773 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.9 m -57.38 -41.48 80.29 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.604 174.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.6 mtm-85 -65.8 -23.44 66.7 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 122.466 -0.146 . . . . 0.0 110.865 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.5 m -71.6 -27.7 63.3 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.911 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -91.4 -18.63 23.94 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 120.652 0.263 . . . . 0.0 110.843 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 20.2 m -98.49 -6.45 30.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.385 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.16 13.26 53.0 Favored Glycine 0 CA--C 1.547 2.078 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.442 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -77.96 96.98 5.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 -175.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -122.95 84.76 50.5 Favored Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.396 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -85.57 -19.45 3.5 Favored 'Trans proline' 0 CA--C 1.547 1.163 0 C-N-CA 122.721 2.281 . . . . 0.0 113.155 -174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.1 m-85 -81.8 80.37 8.12 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 120.865 0.364 . . . . 0.0 110.994 -175.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 89.0 p -82.94 143.43 30.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.353 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 20.2 t -70.35 160.48 32.2 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.487 172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 -134.8 13.35 3.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.552 -174.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -63.37 155.43 74.78 Favored Pre-proline 0 CA--C 1.548 0.882 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 19.37 0.22 Allowed 'Trans proline' 0 CA--C 1.554 1.483 0 C-N-CA 122.926 2.418 . . . . 0.0 113.332 -172.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.2 m -163.33 26.34 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 122.214 0.206 . . . . 0.0 110.939 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 42.6 t -147.97 160.59 42.66 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.174 0.512 . . . . 0.0 111.544 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -155.23 25.54 0.42 Allowed 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.069 169.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.6 mttp -63.65 138.88 58.68 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.487 -175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 79.5 mttt -109.64 143.23 39.66 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 120.988 0.423 . . . . 0.0 111.438 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -126.79 162.63 25.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.385 177.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.5 3.9 43.22 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.981 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -136.71 136.76 39.29 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 110.617 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.402 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 23.7 p -58.0 -45.27 87.08 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.749 178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -67.16 -33.4 75.34 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.441 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -60.6 -41.63 95.13 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 173.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.98 -44.49 89.15 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.86 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.1 t -58.03 -43.2 84.58 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-O 120.916 0.389 . . . . 0.0 110.156 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -62.42 -46.87 86.61 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.384 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -55.03 -49.84 70.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.614 -0.267 . . . . 0.0 110.79 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -56.83 -39.27 73.91 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.015 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -72.77 -15.67 61.65 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.567 0.222 . . . . 0.0 111.162 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 59.2 mtt -105.31 3.86 30.34 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.945 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.345 0.403 0 CA-C-O 120.673 0.273 . . . . 0.0 110.947 -172.56 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.307 0 C3'-C2'-C1' 98.633 -2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.649 3.489 0 O4'-C4'-C3' 108.384 2.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.618 0 P-O3'-C3' 123.108 2.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 P-O3'-C3' 122.685 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.135 2 C3'-C2'-C1' 94.226 -6.053 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.566 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.537 3.298 0 C5'-C4'-O4' 113.325 2.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.07 1 P-O3'-C3' 125.223 4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.557 5.807 2 C4'-C3'-C2' 98.002 -5.198 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . 0.508 ' H41' ' CD ' ' A' ' 53' ' ' GLN . . . . . . . . 1 O4'--C4' 1.397 -4.419 1 O4'-C4'-C3' 110.18 4.58 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.763 0 O5'-C5'-C4' 114.088 2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.551 3.267 1 P-O3'-C3' 125.456 4.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.586 9.379 0 C5'-C4'-C3' 108.912 -3.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 3 P--O5' 1.649 5.633 0 O5'-C5'-C4' 104.699 -3.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.638 4.463 1 O3'-P-O5' 93.664 -5.44 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.049 1 P-O3'-C3' 124.588 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.628 2 O4'-C4'-C3' 110.367 4.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.445 0 P-O3'-C3' 123.828 3.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.085 0 O4'-C4'-C3' 109.223 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.162 1 O5'-C5'-C4' 115.829 4.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.962 2 O3'-P-O5' 95.618 -4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.352 1 P-O3'-C3' 124.848 4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 0 O4'-C4'-C3' 109.293 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.373 -3.631 0 P-O3'-C3' 124.231 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 2 O4'-C4'-C3' 109.851 4.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.658 1 O4'-C4'-C3' 109.632 4.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.362 2 O4'-C4'-C3' 110.257 4.657 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.387 -3.316 4 C4'-C3'-C2' 98.334 -4.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.406 -3.658 0 P-O3'-C3' 123.859 3.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.788 0 P-O3'-C3' 121.933 1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.696 0 O4'-C4'-C3' 108.486 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.132 0 O4'-C4'-C3' 108.996 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.393 -2.952 0 P-O3'-C3' 123.382 3.069 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.491 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O5' 1.619 2.647 2 O4'-C4'-C3' 110.372 4.772 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.491 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.627 0 C3'-C2'-C1' 98.486 -3.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 120.608 0.242 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.1 p -62.83 -17.93 62.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.089 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -58.5 -21.74 52.92 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.151 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -65.12 -20.81 66.64 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.232 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -106.09 107.88 60.6 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.463 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.32 86.87 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.476 2.117 . . . . 0.0 111.73 174.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 65.4 m-85 -73.5 70.88 1.3 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.058 -176.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.534 ' HA ' ' HA ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -80.52 142.93 33.7 Favored 'General case' 0 CA--C 1.509 -0.601 0 C-N-CA 118.67 -1.212 . . . . 0.0 111.96 -173.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 52.8 t -64.11 167.74 6.15 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.526 175.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -119.41 -8.14 10.09 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -69.17 140.39 90.68 Favored Pre-proline 0 CA--C 1.552 1.043 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.775 -177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -61.71 149.28 90.62 Favored 'Trans proline' 0 C--N 1.358 1.073 0 C-N-CA 122.426 2.084 . . . . 0.0 112.028 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.9 -31.24 2.27 Favored Glycine 0 CA--C 1.543 1.836 0 C-N-CA 121.35 -0.452 . . . . 0.0 112.332 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.4 t -96.53 -94.09 0.21 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 122.356 0.262 . . . . 0.0 110.685 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 57.22 18.64 4.34 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 122.969 0.507 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -72.16 152.57 42.19 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.15 0.18 . . . . 0.0 110.587 -176.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' MET . 36.4 mtm180 -98.57 127.04 44.35 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.773 0.32 . . . . 0.0 111.128 -171.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.678 ' CD1' HD23 ' A' ' 24' ' ' LEU . 65.3 m-85 -104.3 170.06 8.12 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.761 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -120.46 -5.41 9.82 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.294 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 45.5 mttm -138.02 147.53 44.25 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.032 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.407 ' HG ' ' CE1' ' A' ' 7' ' ' PHE . 1.4 tt -75.06 -48.49 23.69 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.682 -175.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 p -68.05 -36.01 79.18 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.049 0.452 . . . . 0.0 111.805 177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -65.91 -43.64 87.53 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.49 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.678 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -63.55 -32.31 73.73 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.641 170.29 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.7 -38.66 91.94 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 122.003 -0.435 . . . . 0.0 110.645 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 tpt -64.63 -42.2 95.64 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -58.14 -39.94 80.05 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-O 120.834 0.349 . . . . 0.0 110.427 173.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 m -59.31 -26.78 65.28 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.055 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.44 68.8 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 120.341 0.115 . . . . 0.0 110.747 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -56.41 -40.71 75.13 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-O 120.776 0.322 . . . . 0.0 110.682 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -89.63 -4.72 57.67 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.63 -176.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.86 -19.97 31.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.346 176.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.77 9.38 55.31 Favored Glycine 0 CA--C 1.542 1.723 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.14 172.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -114.58 60.28 0.68 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.042 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -111.73 108.86 55.79 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.057 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.02 91.61 0.73 Allowed 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 122.508 2.139 . . . . 0.0 112.678 -172.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.701 ' HB3' HD22 ' A' ' 54' ' ' LEU . 79.6 m-85 -88.26 169.0 12.24 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.732 172.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -132.68 154.51 50.07 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . 19.6 t -68.71 135.07 50.74 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.921 0.391 . . . . 0.0 110.801 177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -72.12 -7.1 47.14 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -66.81 -19.76 65.81 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.861 -0.154 . . . . 0.0 110.645 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt 68.19 -67.87 0.18 Allowed 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.493 0.717 . . . . 0.0 111.682 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -69.48 -15.95 63.36 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.513 -173.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.547 ' SG ' ' HB3' ' A' ' 39' ' ' CYS . 0.7 OUTLIER -71.12 -32.03 68.5 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.622 0.249 . . . . 0.0 110.447 173.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 57.61 37.0 27.35 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.0 111.493 176.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -95.07 149.9 20.77 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.245 173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -130.0 155.23 46.45 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.353 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 72.4 m-85 -136.3 164.84 27.16 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.969 -173.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.8 t -103.14 -7.84 20.96 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.489 -175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm-85 -148.82 157.56 43.53 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.823 0.344 . . . . 0.0 110.749 177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -43.41 97.57 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.498 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.13 -35.22 79.91 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.363 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.514 HE22 ' NH1' ' A' ' 56' ' ' ARG . 45.4 tp60 -69.16 -41.0 77.83 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.759 0.314 . . . . 0.0 110.525 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 37' ' ' TYR . 10.9 tp -63.56 -44.29 94.56 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.661 173.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -60.66 -43.04 98.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.791 176.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' NH1' HE22 ' A' ' 53' ' ' GLN . 19.6 ttm180 -58.25 -47.43 83.59 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.628 0.252 . . . . 0.0 110.395 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.71 -41.67 95.7 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.775 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -53.48 -38.22 63.44 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.632 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -33.27 63.26 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 122.218 -0.301 . . . . 0.0 110.933 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -60.14 -36.2 76.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-N 116.888 -0.142 . . . . 0.0 111.191 176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -85.81 -31.75 22.14 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.564 0.221 . . . . 0.0 111.235 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.2 p -97.23 -11.88 23.65 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.79 -170.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.91 8.06 57.04 Favored Glycine 0 CA--C 1.544 1.864 0 C-N-CA 121.621 -0.323 . . . . 0.0 112.705 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.41 136.54 25.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.055 0.455 . . . . 0.0 110.961 -174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -132.59 90.76 32.23 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.12 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 94.9 Cg_endo -85.53 -12.89 6.3 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.593 2.195 . . . . 0.0 112.883 -173.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.658 ' HB3' HD13 ' A' ' 82' ' ' LEU . 79.2 m-85 -95.25 123.89 39.0 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 176.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.06 140.0 53.39 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 120.603 0.239 . . . . 0.0 110.798 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.9 t -64.68 148.22 51.46 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.052 0.453 . . . . 0.0 110.609 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.37 10.51 37.87 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.195 177.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -58.84 1.26 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.839 -175.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 17.8 p -105.37 0.48 26.99 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.154 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 60.07 22.47 11.68 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 122.734 0.414 . . . . 0.0 111.774 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -75.83 133.83 40.53 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 120.725 0.298 . . . . 0.0 110.543 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -96.62 147.81 23.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.188 0.518 . . . . 0.0 111.479 -175.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -142.54 161.83 37.04 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.385 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.489 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 52.3 m -97.22 -2.04 43.65 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.558 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -137.08 134.71 36.78 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 120.8 0.333 . . . . 0.0 111.037 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 t -63.65 -42.77 98.07 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.817 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.45 -42.17 91.37 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.7 m-70 -62.79 -44.77 95.3 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 122.426 -0.171 . . . . 0.0 110.881 173.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -63.27 -45.53 91.06 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.48 0.181 . . . . 0.0 110.844 -177.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -62.51 -35.71 80.24 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.882 0.373 . . . . 0.0 110.712 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.2 m -67.57 -49.76 61.67 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.437 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -61.68 -33.09 73.38 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.008 176.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -53.94 -40.43 66.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.815 0.446 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HD3' ' HB1' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -61.52 -22.63 65.29 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.657 -175.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.1 m -54.34 -38.66 66.28 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.557 0.343 . . . . 0.0 111.213 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -78.23 -22.31 48.65 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 120.743 0.306 . . . . 0.0 110.691 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.6 m -91.71 -6.23 52.34 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.88 21.23 36.42 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 121.567 -0.349 . . . . 0.0 112.59 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.69 149.67 43.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -172.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -155.16 78.52 4.73 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.202 171.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.56 -20.26 10.91 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 122.512 2.141 . . . . 0.0 113.123 -172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 95.8 m-85 -83.38 75.97 9.95 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.848 0.356 . . . . 0.0 111.144 -175.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 37.7 t -78.9 144.71 34.63 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 175.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.419 ' HA ' HD11 ' A' ' 112' ' ' LEU . 47.7 t -70.05 151.87 45.02 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.62 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -118.39 7.04 11.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.964 -174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -65.5 150.05 96.44 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 120.667 0.27 . . . . 0.0 110.615 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.86 24.85 0.29 Allowed 'Trans proline' 0 CA--C 1.552 1.407 0 C-N-CA 122.893 2.395 . . . . 0.0 113.002 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.5 m -163.41 21.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.909 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 20.1 t -148.44 173.81 12.71 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.22 0.533 . . . . 0.0 111.238 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.435 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -164.2 13.78 0.05 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.662 175.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.95 130.82 38.87 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 120.808 0.337 . . . . 0.0 110.678 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 60.0 mtpt -98.35 137.4 37.11 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.111 -172.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -129.13 167.27 17.82 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.974 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.494 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -101.05 -11.84 19.32 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.405 -176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -130.83 143.61 50.86 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.129 0.49 . . . . 0.0 110.606 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 2.5 p -59.3 -41.42 88.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.675 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -67.56 -33.74 75.64 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -60.69 -42.53 97.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 175.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 97' ' ' CYS . 59.3 tp -66.19 -40.34 90.36 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.917 175.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.12 -47.65 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.182 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -59.2 -46.79 87.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -58.09 -47.84 81.99 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.559 -0.292 . . . . 0.0 110.931 177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -56.63 -33.66 66.52 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.901 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -19.52 65.21 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-O 120.446 0.165 . . . . 0.0 111.117 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.1 mtt -77.63 -31.22 52.64 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.598 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 . . . . . 0 C--N 1.346 0.451 0 CA-C-O 120.786 0.327 . . . . 0.0 110.416 177.058 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . 0.405 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.203 0 C5'-C4'-O4' 105.705 -2.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . 0.405 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.952 0 O4'-C4'-C3' 109.455 3.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 0 C3'-C2'-C1' 97.845 -3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.631 0 O3'-P-O5' 97.702 -3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.611 0 C3'-C2'-C1' 98.327 -3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.016 0 O3'-P-O5' 99.475 -2.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.386 -5.447 0 P-O3'-C3' 124.026 3.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.476 0 P-O3'-C3' 124.109 3.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.837 0 O3'-P-O5' 97.475 -3.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.473 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.733 0 C5'-C4'-C3' 108.997 -3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.519 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.484 -3.371 0 O3'-P-O5' 96.724 -3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.519 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.543 3.979 0 C5'-C4'-C3' 111.172 -2.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . 0.448 " H1'" " H5'" ' B' ' 137' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.494 -3.425 1 P-O3'-C3' 124.759 4.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . 0.448 " H5'" " H1'" ' B' ' 136' ' ' ' DT' . . . . . . . . 1 P--O5' 1.638 4.468 1 C4'-C3'-C2' 98.345 -4.855 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.94 0 O5'-C5'-C4' 114.877 3.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.369 1 O4'-C4'-C3' 110.162 4.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.183 1 P-O3'-C3' 124.66 4.133 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 5.036 0 O4'-C1'-C2' 103.88 -2.018 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 O5'-C5'-C4' 114.893 3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.902 2 P-O3'-C3' 127.434 6.445 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.559 1 O4'-C4'-C3' 109.889 4.289 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.311 0 C4'-C3'-C2' 99.41 -3.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.511 1 O5'-C5'-C4' 116.567 4.548 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.855 0 O4'-C4'-C3' 109.007 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.152 0 P-O3'-C3' 122.966 2.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.404 -2.105 0 C5'-C4'-C3' 109.136 -3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.405 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O3' 1.635 2.367 2 O4'-C4'-C3' 112.015 6.415 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.405 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.543 3.986 0 C4'-C3'-C2' 99.553 -3.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 O3'-P-O5' 98.616 -2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.389 0 O3'-P-O5' 97.187 -3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.779 1 O4'-C4'-C3' 110.817 5.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.577 1 P-O3'-C3' 124.905 4.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.53 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.913 0 C5'-C4'-C3' 110.063 -3.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.53 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.423 -2.061 0 O4'-C4'-C3' 108.831 3.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.856 0 CA-C-O 120.663 0.268 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -54.81 -50.95 67.3 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.917 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -84.47 24.56 0.98 Allowed 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.434 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mmtm -110.74 -6.19 14.84 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.51 169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -76.43 156.93 83.15 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.557 176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -75.82 147.06 30.5 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.441 2.094 . . . . 0.0 111.896 170.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -139.39 145.24 38.7 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.72 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -136.39 151.26 49.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.016 0.436 . . . . 0.0 111.226 169.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.2 t -69.72 172.48 7.47 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.012 169.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -143.45 6.62 1.48 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.375 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -67.27 137.33 93.94 Favored Pre-proline 0 CA--C 1.552 1.054 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 173.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.21 0.6 3.72 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 122.726 2.284 . . . . 0.0 113.586 -169.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -114.28 3.65 23.68 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 121.641 -0.314 . . . . 0.0 112.525 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 44.1 t -135.22 -89.27 0.34 Allowed 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 116.706 0.253 . . . . 0.0 111.195 -172.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 55.26 38.71 30.79 Favored 'General case' 0 CA--C 1.562 1.428 0 CA-C-O 120.873 0.368 . . . . 0.0 111.144 -173.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.72 158.88 19.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.806 0.336 . . . . 0.0 110.927 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -100.62 127.43 47.02 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.111 0.482 . . . . 0.0 111.304 -172.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.706 ' CD1' HD23 ' A' ' 24' ' ' LEU . 74.7 m-85 -111.87 169.98 8.46 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.216 1.006 . . . . 0.0 110.566 178.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -123.79 -25.22 4.32 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.498 -176.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 10.2 mptt -109.09 129.08 55.47 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.289 0.235 . . . . 0.0 110.444 178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.0 tp -52.68 -50.42 63.32 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 120.816 0.341 . . . . 0.0 110.583 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.6 p -68.23 -37.68 81.09 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.17 -29.53 64.1 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 120.835 0.35 . . . . 0.0 110.187 -179.293 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -73.41 -40.99 63.84 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.858 169.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.25 -43.38 87.8 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 176.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.7 mmt -59.14 -46.29 88.74 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 173.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -57.81 -42.8 84.98 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.605 0.241 . . . . 0.0 110.411 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -58.93 -31.21 68.47 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.236 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.565 ' NH2' ' H41' ' B' ' 135' ' ' ' DC' . 9.4 mmm180 -55.66 -38.32 69.44 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 121.359 -0.136 . . . . 0.0 110.683 -177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -56.47 -32.95 65.47 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-O 120.662 0.268 . . . . 0.0 111.179 177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -89.51 -20.41 23.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 122.707 0.403 . . . . 0.0 111.757 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.9 p -64.73 -33.13 75.24 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 120.236 -0.586 . . . . 0.0 110.976 -172.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.18 0.8 76.04 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.516 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -87.98 32.78 0.73 Allowed 'General case' 0 CA--C 1.551 1.016 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -141.96 81.53 14.43 Favored Pre-proline 0 CA--C 1.557 1.228 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.737 171.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -81.0 175.63 9.71 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 122.903 2.402 . . . . 0.0 113.391 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -132.4 169.89 15.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.442 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -132.85 157.91 43.86 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 120.775 0.322 . . . . 0.0 110.561 170.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.95 130.74 41.72 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.29 169.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -90.19 6.94 40.57 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.679 -171.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CE2' ' CD2' ' A' ' 61' ' ' HIS . 84.0 m-85 -64.87 -22.73 67.05 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 122.524 -0.11 . . . . 0.0 111.288 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 69.64 -32.65 0.23 Allowed 'General case' 0 N--CA 1.505 2.323 0 C-N-CA 123.396 0.679 . . . . 0.0 111.297 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 41' ' ' PHE . 38.1 t70 -82.22 -20.32 37.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 169.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 37.0 t -79.44 -69.76 0.56 Allowed 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.617 177.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 60.26 28.51 18.12 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 122.745 0.418 . . . . 0.0 111.739 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -95.51 146.26 24.57 Favored 'General case' 0 C--N 1.344 0.359 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 169.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -117.71 153.83 32.71 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.637 -174.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 96.5 m-85 -137.72 164.68 28.25 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.947 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.0 p -100.92 -21.47 15.07 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' NH2' HE21 ' A' ' 53' ' ' GLN . 94.8 mtm-85 -131.3 150.18 52.26 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.996 0.427 . . . . 0.0 110.747 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 t -58.19 -37.74 75.36 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.68 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -67.1 -34.02 76.71 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 116.765 -0.198 . . . . 0.0 111.289 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.454 HE21 ' NH2' ' A' ' 50' ' ' ARG . 80.4 mt-30 -65.63 -46.41 79.35 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.697 0.284 . . . . 0.0 110.354 174.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 56.3 tp -62.34 -40.35 96.09 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.794 174.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 ttpp -65.63 -42.43 91.51 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.593 0.357 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.421 ' NH1' HH11 ' A' ' 78' ' ' ARG . 6.4 mtp180 -56.98 -47.5 80.64 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.8 t60 -60.94 -36.6 79.78 Favored 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.458 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -53.17 -38.12 62.5 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 120.552 0.215 . . . . 0.0 110.817 176.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -55.27 -33.06 62.87 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 120.477 0.18 . . . . 0.0 111.117 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.595 ' NE ' " H3'" ' B' ' 129' ' ' ' DG' . 0.1 OUTLIER -65.52 -31.53 72.64 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 120.59 0.233 . . . . 0.0 110.559 179.763 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CD2' ' CE2' ' A' ' 41' ' ' PHE . 90.0 m-70 -95.63 -4.42 44.48 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.715 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 62.1 p -134.65 -6.21 2.5 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -169.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.53 -105.61 1.2 Allowed Glycine 0 CA--C 1.538 1.5 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.9 t 67.84 -67.52 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 123.456 0.702 . . . . 0.0 111.685 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt 46.55 73.8 0.92 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 122.692 0.397 . . . . 0.0 110.736 -170.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -71.18 -17.92 30.95 Favored 'Trans proline' 0 CA--C 1.542 0.88 0 C-N-CA 122.769 2.313 . . . . 0.0 113.615 -169.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.564 ' HB3' HD13 ' A' ' 82' ' ' LEU . 93.4 m-85 -83.78 132.7 34.81 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -124.55 139.88 53.47 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 122.365 -0.209 . . . . 0.0 110.9 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.9 t -64.44 148.62 50.15 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.038 0.447 . . . . 0.0 110.298 174.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -90.09 2.45 55.24 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.604 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.57 -76.76 0.57 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.447 -173.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 25.7 p -87.3 -2.17 58.43 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 122.477 0.311 . . . . 0.0 111.367 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 62.38 24.42 14.54 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 122.79 0.436 . . . . 0.0 111.487 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.25 126.96 31.21 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 173.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -89.77 141.82 28.26 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.067 0.461 . . . . 0.0 111.175 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -131.88 161.66 32.49 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.345 177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.5 p -99.36 -8.16 25.22 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.529 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.421 HH11 ' NH1' ' A' ' 56' ' ' ARG . 39.4 mtm180 -138.14 142.89 40.12 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.012 0.435 . . . . 0.0 110.921 178.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.8 p -63.82 -35.91 82.16 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.788 177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -61.27 -40.95 96.0 Favored 'General case' 0 CA--C 1.568 1.671 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.926 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.501 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 4.6 m-70 -65.08 -46.29 81.71 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 122.51 -0.119 . . . . 0.0 110.826 172.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.564 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.7 tt -61.55 -45.78 92.72 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.518 0.199 . . . . 0.0 110.841 -177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -65.65 -34.57 78.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 120.755 0.312 . . . . 0.0 110.675 176.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 38.9 m -65.5 -49.42 69.08 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.634 175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.8 t60 -60.79 -38.15 84.35 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.8 m -54.21 -41.2 68.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.806 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -62.34 -23.01 66.54 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 116.924 -0.125 . . . . 0.0 111.176 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.6 p -67.78 -37.52 82.16 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.391 0.139 . . . . 0.0 110.926 174.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -80.21 -23.02 41.21 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.482 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -91.77 -5.93 52.68 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 58.68 22.21 52.53 Favored Glycine 0 CA--C 1.545 1.932 0 C-N-CA 121.62 -0.324 . . . . 0.0 112.343 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -84.37 97.74 9.65 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.87 0.367 . . . . 0.0 110.77 -173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -122.59 83.78 48.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.518 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -85.88 -25.68 1.42 Allowed 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 122.709 2.272 . . . . 0.0 113.048 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -73.4 82.3 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 120.879 0.371 . . . . 0.0 110.779 -174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -87.46 139.76 30.22 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 23.3 t -70.19 134.67 48.32 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.529 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -103.2 10.33 37.8 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.124 -174.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -64.84 151.03 93.81 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 120.782 0.325 . . . . 0.0 110.69 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.28 9.44 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.234 0 C-N-CA 122.857 2.371 . . . . 0.0 113.151 -174.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -145.25 18.85 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 122.212 0.205 . . . . 0.0 111.19 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -147.1 157.15 43.51 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -148.49 23.21 1.02 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.076 170.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.8 mtmm -67.48 143.89 55.97 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.266 -176.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.4 mttm -119.18 140.17 50.61 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.003 0.43 . . . . 0.0 111.453 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.49 162.67 23.48 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.533 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.85 0.28 43.92 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.242 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -135.96 142.83 44.61 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.246 0.546 . . . . 0.0 111.0 178.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.676 ' O ' HG13 ' A' ' 113' ' ' VAL . 28.6 p -61.23 -43.69 98.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.954 -179.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -67.44 -33.51 75.3 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 122.171 0.189 . . . . 0.0 111.43 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.6 -41.21 94.31 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 122.022 -0.424 . . . . 0.0 109.936 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.38 -44.15 75.8 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.08 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 109' ' ' SER . 15.7 m -58.25 -43.2 85.42 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-O 120.86 0.362 . . . . 0.0 110.207 178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -62.72 -47.06 85.22 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.493 176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 71.7 t60 -55.07 -48.74 73.09 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-O 120.594 0.235 . . . . 0.0 110.76 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -57.23 -39.76 76.19 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.855 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -15.73 63.54 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.143 -179.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 57.3 mtt -111.31 5.34 19.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.443 0.297 . . . . 0.0 110.993 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.345 0 CA-C-O 120.694 0.283 . . . . 0.0 110.904 -173.314 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.533 0 C5'-C4'-C3' 109.916 -3.189 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.354 1 O4'-C4'-C3' 110.017 4.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.43 0 O4'-C1'-C2' 101.883 -3.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.571 1 P-O3'-C3' 124.816 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.484 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.542 3.882 0 C5'-C4'-O4' 113.468 2.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.595 " H3'" ' NE ' ' A' ' 60' ' ' ARG . . . . . . . . 0 C4'--C3' 1.492 -3.564 1 O3'-P-O5' 94.863 -4.809 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.4 -4.226 0 O4'-C4'-C3' 108.561 2.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.679 0 O4'-C1'-C2' 102.553 -3.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.807 0 O4'-C4'-C3' 109.383 3.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.402 H2'' " O5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.987 0 O4'-C1'-C2' 103.498 -2.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.456 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C2'--C1' 1.595 5.285 3 O4'-C4'-C3' 113.587 7.987 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.593 " H1'" " H5'" ' B' ' 136' ' ' ' DT' . . . . . . . . 2 C5'--C4' 1.612 12.668 1 C5'-C4'-O4' 117.057 4.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . 0.593 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.566 3.809 1 C4'-C3'-C2' 98.457 -4.743 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.556 5.649 4 O3'-P-O5' 90.966 -6.86 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C4'-C3' 108.856 3.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.464 0 O4'-C4'-C3' 109.564 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.383 0 P-O3'-C3' 124.154 3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.859 0 O4'-C4'-C3' 107.71 2.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 2 P-O3'-C3' 125.013 4.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 0 P-O3'-C3' 124.425 3.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.663 0 O5'-C5'-C4' 115.696 3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . 0.426 ' N6 ' HH22 ' A' ' 29' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O3'-P-O5' 95.971 -4.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.688 2 O5'-C5'-C4' 118.731 6.094 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.464 0 O4'-C4'-C3' 108.326 2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.146 1 O4'-C4'-C3' 110.529 4.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.724 0 C5'-C4'-C3' 109.486 -3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.647 3.3 0 C5'-C4'-O4' 103.225 -3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.749 0 O3'-P-O5' 99.019 -2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.84 0 P-O3'-C3' 122.614 2.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.04 0 C5'-C4'-C3' 109.73 -3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.785 0 O4'-C4'-C3' 109.51 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.224 0 O4'-C4'-C3' 108.209 2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.519 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.526 1.832 1 O4'-C4'-C3' 110.024 4.424 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.519 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.419 -2.493 0 C3'-C2'-C1' 98.505 -2.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 120.664 0.269 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -64.01 -14.33 53.39 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.467 0.307 . . . . 0.0 111.348 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.6 mp0 -62.33 -17.74 59.59 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 122.576 0.35 . . . . 0.0 111.295 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -69.87 -13.08 62.09 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.315 177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 mtm180 73.04 154.19 0.15 Allowed Pre-proline 0 N--CA 1.497 1.896 0 C-N-CA 123.467 0.707 . . . . 0.0 110.873 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -82.0 169.99 14.18 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.746 2.297 . . . . 0.0 112.254 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -144.58 150.37 37.37 Favored 'General case' 0 C--O 1.211 -0.958 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.6 ptm -136.45 156.3 48.8 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 169.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.3 t -67.45 153.51 43.53 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.691 173.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.65 -10.08 14.51 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.785 -177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -68.18 122.35 83.76 Favored Pre-proline 0 CA--C 1.55 0.949 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.83 71.31 2.07 Favored 'Trans proline' 0 C--N 1.364 1.371 0 C-N-CA 123.006 2.471 . . . . 0.0 112.529 -171.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 170.45 -22.91 0.08 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.4 -176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 12.6 t -104.19 -74.56 0.64 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.682 0.393 . . . . 0.0 110.092 172.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m120 48.67 41.78 18.31 Favored 'General case' 0 CA--C 1.551 1.014 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.413 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -82.49 157.73 23.48 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.608 175.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -98.72 127.29 44.6 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.135 0.493 . . . . 0.0 111.317 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' A' ' 24' ' ' LEU . 64.4 m-85 -111.65 170.04 8.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 123.991 0.916 . . . . 0.0 110.465 179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -122.55 -26.25 4.59 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.583 -175.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 30.0 mtmm -109.04 123.23 48.82 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.731 0.301 . . . . 0.0 110.33 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -49.02 62.27 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.129 -176.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.3 m -68.3 -36.67 79.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.522 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.08 -29.39 65.23 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.746 0.308 . . . . 0.0 110.283 -179.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.16 -43.6 61.26 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.962 169.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -58.3 -38.75 77.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.383 -0.198 . . . . 0.0 110.658 176.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -43.61 94.11 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.699 174.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -57.89 -41.93 83.6 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.78 65.88 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.581 -177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HA ' ' HE ' ' A' ' 29' ' ' ARG . 1.4 mmp_? -55.52 -38.34 69.1 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -56.47 -36.6 69.27 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.708 0.29 . . . . 0.0 110.896 175.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -89.9 -16.89 29.07 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 122.999 0.519 . . . . 0.0 112.037 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -18.39 63.46 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 121.219 -0.192 . . . . 0.0 111.39 -169.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.92 40.17 1.79 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -118.21 52.12 1.03 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.907 0.384 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.51 119.95 38.87 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.998 173.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.79 93.65 1.06 Allowed 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.477 2.118 . . . . 0.0 112.502 -174.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.632 ' HB3' HD22 ' A' ' 54' ' ' LEU . 10.9 m-85 -94.35 149.11 21.55 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.893 170.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -132.69 147.9 52.34 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 120.519 0.199 . . . . 0.0 110.624 177.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -65.81 156.94 31.74 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.404 169.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -134.25 23.22 3.79 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.616 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' CE2' ' CE1' ' A' ' 61' ' ' HIS . 94.9 m-85 -70.76 164.24 25.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.088 0.47 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -81.95 -0.32 43.39 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 172.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -129.89 2.86 4.87 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.205 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.6 t -153.09 143.02 22.19 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 120.972 0.415 . . . . 0.0 111.317 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -146.11 39.03 1.09 Allowed 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.399 169.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.6 mtm180 -77.35 152.75 34.31 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.423 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.94 148.31 27.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.742 -176.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 89.8 m-85 -138.5 164.77 28.55 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.001 178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -109.06 -20.43 13.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.491 -172.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -118.65 146.47 44.65 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.05 0.452 . . . . 0.0 110.575 173.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.5 t -60.64 -36.84 79.66 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.413 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -66.51 -36.66 83.26 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.351 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.53 -50.84 71.06 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 37' ' ' TYR . 59.1 tp -60.62 -44.25 96.56 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.864 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -47.16 84.02 Favored 'General case' 0 N--CA 1.49 1.554 0 C-N-CA 122.288 0.235 . . . . 0.0 110.931 -178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.04 -47.46 80.87 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.443 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 86.3 t60 -60.77 -36.75 79.75 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.601 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -53.09 -38.26 62.41 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-O 120.703 0.287 . . . . 0.0 110.454 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -55.13 -32.99 62.5 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.087 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -55.76 -33.14 64.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.52 0.328 . . . . 0.0 111.49 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CE1' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -104.83 -32.05 9.0 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 120.634 0.255 . . . . 0.0 111.251 -178.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.2 p -86.52 -5.26 59.19 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -173.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.8 7.94 45.04 Favored Glycine 0 CA--C 1.544 1.853 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.793 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG12 ' HD3' ' A' ' 66' ' ' PRO . 46.2 t -70.02 106.02 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.014 0.435 . . . . 0.0 110.906 -175.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -117.03 83.84 15.51 Favored Pre-proline 0 N--CA 1.475 0.809 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.12 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD3' HG12 ' A' ' 64' ' ' VAL . 86.3 Cg_endo -82.88 -14.6 8.68 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.619 2.213 . . . . 0.0 113.12 -171.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.769 ' HB3' HD13 ' A' ' 82' ' ' LEU . 69.8 m-85 -89.06 130.21 35.56 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -124.14 141.27 52.2 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 120.493 0.187 . . . . 0.0 110.832 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 54.0 t -64.46 148.36 50.73 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.021 0.438 . . . . 0.0 110.418 174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.82 6.56 47.21 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.866 177.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.62 -64.28 1.12 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.744 -172.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 30.6 p -96.61 -6.39 36.87 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.352 -178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 67.35 19.68 10.1 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.894 0.478 . . . . 0.0 111.438 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt-85 -74.66 130.33 39.32 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-O 120.845 0.355 . . . . 0.0 110.472 176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -92.65 144.56 25.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.121 0.486 . . . . 0.0 111.183 -177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -134.84 159.86 40.04 Favored 'General case' 0 C--O 1.244 0.787 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.229 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 23.9 p -98.33 0.02 44.71 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.529 -177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -135.24 134.09 39.66 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.858 0.361 . . . . 0.0 110.775 -178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.8 p -64.0 -39.82 94.98 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.665 176.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -64.74 -42.04 95.47 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.054 -178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.4 m-70 -63.82 -42.21 97.69 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 122.435 -0.166 . . . . 0.0 110.853 173.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.769 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.2 tt -64.32 -46.7 82.4 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.412 0.149 . . . . 0.0 110.705 -179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -62.42 -34.27 76.43 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.724 0.297 . . . . 0.0 110.561 175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 54.7 m -66.95 -49.61 64.92 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.631 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -63.48 -32.73 74.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 176.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 84.1 m -54.12 -40.76 67.62 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.435 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -61.92 -27.49 68.86 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.062 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.6 m -62.63 -35.96 81.28 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.395 0.14 . . . . 0.0 111.017 176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -86.27 -25.1 25.7 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.79 0.328 . . . . 0.0 110.671 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 m -91.68 -6.01 52.78 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.263 -173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.54 15.57 47.15 Favored Glycine 0 CA--C 1.546 2.016 0 C-N-CA 121.589 -0.339 . . . . 0.0 112.365 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.57 90.67 3.92 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.015 0.436 . . . . 0.0 110.808 -174.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -117.77 83.7 18.69 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.474 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -84.48 -17.74 5.15 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.645 2.23 . . . . 0.0 113.051 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -83.96 75.54 10.12 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.855 0.36 . . . . 0.0 110.99 -175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 53.4 m -80.25 140.91 36.01 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.994 178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 28.7 t -70.2 139.3 52.29 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.641 179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.49 8.64 33.53 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.2 -174.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -63.58 152.36 86.04 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 120.726 0.298 . . . . 0.0 110.764 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.65 4.64 2.91 Favored 'Trans proline' 0 CA--C 1.547 1.172 0 C-N-CA 122.819 2.346 . . . . 0.0 113.105 -174.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 51.9 p -143.11 25.39 1.75 Allowed 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.163 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 45.7 t -153.19 157.4 40.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 120.942 0.401 . . . . 0.0 111.195 -177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -148.38 22.55 1.05 Allowed 'General case' 0 CA--C 1.558 1.251 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.065 169.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HE2' ' CE1' ' A' ' 115' ' ' HIS . 35.2 mtmm -65.42 135.76 55.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.479 -175.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 16.6 ptmt -111.79 136.24 51.33 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.137 0.494 . . . . 0.0 111.549 -169.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -119.92 164.9 15.36 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.527 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -102.07 0.11 34.38 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.175 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -133.84 139.94 46.57 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 121.251 0.548 . . . . 0.0 110.744 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 p -59.39 -43.68 92.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.885 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.48 -33.69 75.64 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.523 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -60.76 -42.77 98.13 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 174.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.6 tp -65.62 -41.84 92.26 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.964 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.5 t -58.11 -47.63 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -59.28 -46.74 87.71 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.549 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.442 ' CE1' ' HE2' ' A' ' 104' ' ' LYS . 61.3 t60 -54.9 -50.12 69.54 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.715 -0.22 . . . . 0.0 110.711 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.06 -38.62 73.52 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.882 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -15.68 63.56 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.083 -178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.7 mtt -114.56 9.77 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.934 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 C--N 1.345 0.373 0 CA-C-O 120.772 0.32 . . . . 0.0 110.978 -174.325 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 C5'-C4'-C3' 110.055 -3.096 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.857 0 P-O3'-C3' 122.755 2.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.695 3 C4'-C3'-C2' 98.236 -4.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.911 0 O4'-C4'-C3' 109.536 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.506 0 C3'-C2'-C1' 99.462 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.437 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 P--O5' 1.63 3.656 0 O4'-C4'-C3' 108.922 3.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 4.963 4 O3'-P-O5' 92.831 -5.879 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.02 1 O3'-P-O5' 96.125 -4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.393 0 O4'-C4'-C3' 109.229 3.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.551 5.008 0 O4'-C4'-C3' 109.064 3.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.439 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 P--O5' 1.648 5.521 1 C5'-C4'-C3' 108.112 -4.392 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.439 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.148 0 O4'-C1'-C2' 102.743 -3.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.633 4.04 1 O3'-P-O5' 95.437 -4.507 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.204 1 O3'-P-O5' 95.512 -4.468 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.567 0 P-O3'-C3' 124.403 3.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.925 1 O3'-P-O5' 94.967 -4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.796 1 P-O3'-C3' 125.125 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.191 0 O4'-C4'-C3' 109.367 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 P-O3'-C3' 124.196 3.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O3'-P-O5' 96.463 -3.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.542 2.422 2 O4'-C4'-C3' 110.277 4.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.606 1 O4'-C4'-C3' 110.539 4.939 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.784 0 O5'-C5'-C4' 115.779 3.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.647 0 P-O3'-C3' 124.213 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.514 2 C4'-C3'-C2' 98.615 -4.585 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.823 1 O4'-C4'-C3' 111.191 5.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.487 1 O4'-C4'-C3' 110.802 5.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.605 1 C5'-C4'-C3' 107.725 -4.65 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.59 0 O4'-C1'-C2' 103.16 -2.673 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.903 2 O4'-C4'-C3' 111.005 5.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.459 0 P-O3'-C3' 123.464 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.734 0 P-O3'-C3' 123.684 3.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.517 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 P--O5' 1.617 2.406 0 O4'-C4'-C3' 109.0 3.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.517 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.442 0 C3'-C2'-C1' 98.433 -3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 120.705 0.288 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.4 m -159.53 8.41 0.11 Allowed 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.614 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -75.29 -51.0 14.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.689 0.28 . . . . 0.0 110.734 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -79.12 68.16 5.02 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 120.977 0.418 . . . . 0.0 110.618 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 83.0 mmt-85 -138.85 83.72 18.59 Favored Pre-proline 0 CA--C 1.55 0.972 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.621 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.83 -13.98 19.56 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.749 2.299 . . . . 0.0 112.961 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -99.48 142.95 30.29 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.8 ptm -136.44 151.44 49.5 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 121.068 0.461 . . . . 0.0 111.359 169.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 50.8 t -71.88 167.07 20.81 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.324 169.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -125.59 -1.4 7.42 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.309 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' CE1' ' HG2' ' A' ' 34' ' ' GLU . 47.0 t80 -68.66 123.9 88.87 Favored Pre-proline 0 CA--C 1.548 0.878 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 176.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -52.51 -28.02 34.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 C-N-CA 122.888 2.392 . . . . 0.0 113.667 -173.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.54 -0.32 86.41 Favored Glycine 0 CA--C 1.546 1.981 0 C-N-CA 121.362 -0.446 . . . . 0.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.54 ' SG ' ' HE3' ' A' ' 16' ' ' LYS . 22.7 t -130.33 -85.74 0.52 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 122.562 0.345 . . . . 0.0 110.658 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.96 23.85 14.11 Favored 'General case' 0 CA--C 1.564 1.493 0 C-N-CA 122.727 0.411 . . . . 0.0 111.431 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HE3' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -81.69 167.25 19.36 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.722 0.296 . . . . 0.0 110.986 -176.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -109.43 133.77 52.67 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 121.163 0.506 . . . . 0.0 111.393 -173.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.725 ' CD1' HD23 ' A' ' 24' ' ' LEU . 66.5 m-85 -118.81 168.28 10.9 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.978 0.911 . . . . 0.0 110.851 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -114.58 -52.65 2.7 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -77.22 118.41 19.7 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.906 0.384 . . . . 0.0 110.729 -179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -48.04 -49.81 30.05 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.803 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.7 p -67.94 -35.6 78.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.63 -35.08 74.91 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 120.337 -0.545 . . . . 0.0 109.923 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.725 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -72.99 -36.77 67.11 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 172.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -48.55 80.9 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 122.11 -0.369 . . . . 0.0 110.058 174.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.18 -47.13 82.01 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.62 175.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -57.79 -41.55 82.32 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.523 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -59.45 -36.67 76.37 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -56.37 -37.95 70.76 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.638 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -56.3 -33.72 65.82 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.665 -176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.23 -21.36 50.06 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.363 -174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.2 p -56.68 -13.65 2.63 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.71 2.97 80.98 Favored Glycine 0 CA--C 1.552 2.368 0 C-N-CA 121.514 -0.374 . . . . 0.0 112.807 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HG2' ' CE1' ' A' ' 11' ' ' TYR . 1.4 pp20? -77.65 -16.31 58.62 Favored 'General case' 0 CA--C 1.559 1.299 0 CA-C-N 116.866 0.333 . . . . 0.0 111.589 -175.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -82.86 120.12 75.67 Favored Pre-proline 0 N--CA 1.481 1.079 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.22 -169.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -86.99 100.45 0.52 Allowed 'Trans proline' 0 CA--C 1.55 1.32 0 C-N-CA 122.903 2.402 . . . . 0.0 112.393 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.452 ' HB3' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -92.39 161.07 14.81 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.293 173.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -132.71 154.18 50.42 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 120.71 0.29 . . . . 0.0 110.955 170.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.7 t -68.23 145.96 53.8 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.676 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -84.57 -21.1 30.56 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -65.11 113.46 3.96 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.403 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.9 mmpt? -67.33 -15.68 63.83 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.822 -172.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -90.87 2.61 56.01 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 120.572 0.225 . . . . 0.0 110.928 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 31.6 t -114.01 -78.96 0.58 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 122.813 0.445 . . . . 0.0 110.073 176.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 69.16 21.32 7.26 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.243 176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 63.6 mtp85 -80.76 168.21 19.08 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.794 0.331 . . . . 0.0 110.417 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -121.59 153.9 37.46 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.441 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 97.6 m-85 -135.94 164.6 27.59 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.183 177.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -105.95 0.4 25.75 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.608 -176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -148.48 153.81 38.97 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.885 0.374 . . . . 0.0 111.007 174.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.3 p -61.64 -44.59 96.69 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.861 176.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' CG ' ' H62' ' C' ' 147' ' ' ' DA' . 1.4 p-10 -62.71 -33.98 76.21 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.185 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' CD ' ' H41' ' B' ' 132' ' ' ' DC' . 86.1 mm-40 -72.52 -43.11 64.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.558 0.218 . . . . 0.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 37' ' ' TYR . 26.5 tp -59.95 -43.38 95.06 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.537 171.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.83 -44.99 94.68 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.176 176.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -60.15 -45.3 93.54 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 120.665 0.269 . . . . 0.0 110.326 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 6.7 t60 -60.74 -38.72 86.11 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.969 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -53.18 -35.29 59.66 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.732 177.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -54.78 -33.28 61.17 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.746 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -55.65 -47.64 76.31 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.087 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -71.1 -31.53 67.91 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.974 -177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.9 p -71.02 -21.85 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.247 176.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.07 -5.27 8.61 Favored Glycine 0 CA--C 1.554 2.491 0 C-N-CA 121.686 -0.292 . . . . 0.0 113.032 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.0 t -76.19 137.2 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 CA-C-O 120.939 0.4 . . . . 0.0 110.87 -175.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -119.42 85.38 31.39 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.201 175.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -80.9 -21.12 7.12 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.639 2.226 . . . . 0.0 113.211 -171.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -77.88 83.07 4.22 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 120.847 0.356 . . . . 0.0 110.667 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -90.71 131.32 36.46 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.761 -177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 33.1 t -64.67 126.64 28.55 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.302 0.572 . . . . 0.0 111.354 -175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -7.55 7.3 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.662 177.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.28 -65.81 1.02 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.302 0.241 . . . . 0.0 110.805 -176.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 74' ' ' ARG . 21.1 p -109.93 1.29 19.02 Favored 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 120.658 0.266 . . . . 0.0 111.574 -173.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 66.37 14.4 9.67 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.259 0.624 . . . . 0.0 111.78 176.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 0.2 OUTLIER -56.09 118.14 4.4 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 169.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.83 140.42 29.53 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.031 0.443 . . . . 0.0 111.006 -175.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -134.08 163.99 28.34 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.287 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.3 p -99.57 -9.26 23.45 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.35 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -137.0 148.39 46.85 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.042 0.448 . . . . 0.0 111.162 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.0 p -69.65 -40.34 76.53 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.043 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -63.04 -34.91 78.58 Favored 'General case' 0 CA--C 1.566 1.596 0 CA-C-O 120.545 0.212 . . . . 0.0 110.988 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.463 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.5 m-70 -66.67 -46.57 75.23 Favored 'General case' 0 N--CA 1.486 1.343 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.576 172.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.75 -47.56 83.02 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 120.624 0.25 . . . . 0.0 110.979 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -62.31 -34.39 76.52 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.507 0.323 . . . . 0.0 110.734 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.4 m -68.6 -49.58 58.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.597 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -62.51 -30.83 71.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.952 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 99.5 m -54.15 -40.23 67.23 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 177.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -61.61 -22.82 65.57 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.861 -177.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.2 m -54.42 -39.35 67.24 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.014 176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.7 -19.9 20.0 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-O 120.519 0.2 . . . . 0.0 111.061 177.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.5 m -91.66 -6.25 52.45 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.6 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 64.88 9.63 41.07 Favored Glycine 0 CA--C 1.545 1.911 0 C-N-CA 121.299 -0.476 . . . . 0.0 112.861 175.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -80.79 99.3 8.19 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.871 0.367 . . . . 0.0 110.99 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -120.46 84.87 36.57 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.73 -24.78 2.15 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 122.557 2.171 . . . . 0.0 112.909 -175.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -75.93 80.58 2.81 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 120.999 0.428 . . . . 0.0 110.834 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 m -85.46 139.69 31.3 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.42 161.07 31.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 5.98 10.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.165 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -70.89 158.48 87.99 Favored Pre-proline 0 CA--C 1.555 1.138 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.785 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.19 110.12 0.33 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 123.188 2.592 . . . . 0.0 113.194 -173.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.0 t 59.97 20.31 9.37 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.047 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' CE ' ' A' ' 104' ' ' LYS . 32.0 t -80.29 -84.72 0.09 Allowed 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 120.579 0.228 . . . . 0.0 110.643 177.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.55 18.73 11.35 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 122.944 0.498 . . . . 0.0 111.48 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.437 ' CE ' ' SG ' ' A' ' 102' ' ' CYS . 46.4 mtmt -65.63 134.17 52.71 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 173.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -109.36 144.93 36.88 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.046 0.451 . . . . 0.0 111.742 -169.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -128.34 162.75 26.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.58 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.04 -1.62 39.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.197 -179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -134.19 140.59 46.61 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 121.177 0.513 . . . . 0.0 110.872 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.1 p -57.31 -45.52 84.13 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.755 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -67.17 -33.7 75.96 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.442 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.68 -41.56 95.37 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 174.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 tp -66.13 -43.37 87.3 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.957 173.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.06 -41.52 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.321 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.63 -46.89 80.62 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -54.42 -49.22 70.47 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.808 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -56.66 -41.02 76.52 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.007 177.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -71.0 -15.59 62.58 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.231 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 58.6 mtt -107.32 3.43 25.38 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.008 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.357 0 CA-C-O 120.688 0.28 . . . . 0.0 111.052 -172.725 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.415 0 O4'-C4'-C3' 107.941 2.341 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C4'-C3' 108.302 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.573 0 C3'-C2'-C1' 97.957 -3.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 P-O3'-C3' 123.417 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.41 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.406 -3.675 0 C3'-C2'-C1' 98.272 -3.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.463 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C4'-C3' 108.366 2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.833 1 O4'-C4'-C3' 109.999 4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.399 -2.546 0 O4'-C1'-C2' 103.208 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . 0.457 ' H41' ' CD ' ' A' ' 53' ' ' GLN . . . . . . . . 0 P--O3' 1.653 3.796 4 C4'-C3'-C2' 96.495 -6.705 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.375 -4.045 1 O3'-P-O5' 95.369 -4.543 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.419 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 P--O5' 1.661 6.785 2 C5'-C4'-C3' 105.247 -6.302 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.419 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.554 5.383 3 O4'-C4'-C3' 111.223 5.623 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C3'--C2' 1.58 6.154 2 P-O3'-C3' 126.566 5.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.403 1 P-O3'-C3' 125.323 4.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.794 0 O3'-P-O5' 98.668 -2.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.512 0 O3'-P-O5' 97.121 -3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.226 1 P-O3'-C3' 125.236 4.613 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.55 4.814 0 O5'-C5'-C4' 113.304 2.217 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 4 O4'-C4'-C3' 110.5 4.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.47 0 P-O3'-C3' 123.11 2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.81 0 C5'-C4'-O4' 115.114 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.468 0 O4'-C4'-C3' 109.558 3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.718 1 O5'-C5'-C4' 119.873 6.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . 0.449 ' H62' ' CG ' ' A' ' 52' ' ' ASP . . . . . . . . 1 P--O5' 1.641 4.79 1 O4'-C4'-C3' 110.028 4.428 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.31 0 O4'-C1'-C2' 101.968 -3.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.264 1 O3'-P-O5' 96.102 -4.157 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 109.158 -3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.207 0 C4'-C3'-C2' 100.03 -3.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C4'-C3' 107.466 1.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.564 0 O4'-C4'-C3' 108.752 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.37 0 O4'-C4'-C3' 109.338 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O3'-P-O5' 99.654 -2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.538 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C4'-C3' 109.312 3.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.538 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.012 0 C3'-C2'-C1' 97.602 -3.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.947 0 CA-C-O 120.562 0.22 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -77.67 75.51 4.21 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 120.792 0.33 . . . . 0.0 110.698 178.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.34 160.95 42.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -73.04 158.63 35.04 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.737 177.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.06 145.01 82.93 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.335 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.79 145.75 29.19 Favored 'Trans proline' 0 CA--C 1.536 0.606 0 C-N-CA 122.493 2.129 . . . . 0.0 112.29 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -75.99 152.89 36.87 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.586 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -136.66 154.38 50.65 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.982 0.42 . . . . 0.0 111.586 169.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.484 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 46.4 t -77.68 -178.4 5.32 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.243 169.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -132.41 -16.39 2.72 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.608 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.32 133.07 95.53 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-O 120.445 0.164 . . . . 0.0 110.686 -176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.54 -33.39 57.81 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.703 2.269 . . . . 0.0 113.184 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.82 7.86 64.65 Favored Glycine 0 CA--C 1.547 2.033 0 C-N-CA 121.547 -0.358 . . . . 0.0 112.742 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.8 t -147.56 -89.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 122.393 0.277 . . . . 0.0 110.717 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 50.74 39.51 22.15 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.904 -175.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.72 172.02 7.96 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.862 178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -101.98 137.45 40.25 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 111.87 -170.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.71 ' CD1' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -119.07 168.33 10.93 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.702 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -123.71 -30.77 3.54 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.725 -174.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 6.3 mptp? -100.69 118.48 36.89 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.793 0.33 . . . . 0.0 110.347 177.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -46.87 -52.7 13.77 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.4 p -68.11 -35.83 78.77 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.521 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -67.71 -36.09 79.98 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.71 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.4 OUTLIER -70.59 -44.07 68.09 Favored 'General case' 0 CA--C 1.554 1.133 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.057 171.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -58.23 -41.5 84.23 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 122.344 -0.222 . . . . 0.0 110.779 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -39.46 82.71 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.703 173.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -57.9 -39.23 77.4 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-O 120.562 0.22 . . . . 0.0 110.48 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.9 t -59.09 -35.0 72.65 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.946 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -38.6 70.28 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.39 -34.08 66.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.247 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -84.05 -28.83 27.35 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 111.451 0.167 . . . . 0.0 111.451 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 45.0 p -53.42 -24.43 12.54 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.563 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.03 8.74 73.09 Favored Glycine 0 CA--C 1.548 2.137 0 C-N-CA 121.68 -0.295 . . . . 0.0 112.61 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -125.1 28.18 6.46 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.791 0.436 . . . . 0.0 110.841 -176.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -83.82 112.32 39.34 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.383 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.08 105.84 1.91 Allowed 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.48 2.12 . . . . 0.0 112.472 -173.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.731 ' HB3' HD22 ' A' ' 54' ' ' LEU . 68.3 m-85 -117.94 162.59 17.88 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 174.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -132.64 156.74 46.38 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.28 169.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.1 t -53.95 132.47 42.23 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.412 177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -69.45 -21.77 63.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.78 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -71.77 109.33 5.58 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.876 0.37 . . . . 0.0 110.303 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -59.3 -19.24 44.66 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.873 -173.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -97.36 1.33 49.25 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.316 -178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.6 t -100.01 -64.77 1.01 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.622 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 66.41 29.91 9.04 Favored 'General case' 0 CA--C 1.559 1.295 0 C-N-CA 122.789 0.436 . . . . 0.0 111.82 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.8 170.75 15.9 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 169.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -130.88 151.35 51.41 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.47 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 86.3 m-85 -140.39 164.64 29.58 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.178 -179.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.5 p -113.24 7.06 17.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.593 -175.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.7 ttp180 -156.2 153.2 28.83 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.014 0.435 . . . . 0.0 111.064 176.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 m -56.23 -44.48 79.64 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.616 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -63.98 -38.26 90.41 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.313 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -61.43 -49.77 75.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.672 0.272 . . . . 0.0 110.272 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 37' ' ' TYR . 23.6 tp -61.46 -46.38 90.31 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.0 176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -61.85 -42.29 98.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.083 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -60.68 -46.13 91.54 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.47 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 77.7 t60 -60.63 -39.91 90.01 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.128 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -53.32 -37.31 62.16 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.215 177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -55.22 -33.21 62.89 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 122.511 -0.118 . . . . 0.0 111.047 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -60.38 -34.09 73.4 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.157 0.183 . . . . 0.0 111.36 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -90.55 -41.54 11.32 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.725 0.298 . . . . 0.0 111.029 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.4 p -77.88 -16.37 58.31 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.355 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.44 7.01 67.27 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 121.661 -0.304 . . . . 0.0 113.041 174.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.83 137.33 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 121.03 0.443 . . . . 0.0 111.011 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -130.44 77.92 75.14 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.103 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.3 -14.96 22.83 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 122.668 2.246 . . . . 0.0 113.133 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.651 ' HB3' HD13 ' A' ' 82' ' ' LEU . 85.0 m-85 -89.61 126.84 35.78 Favored 'General case' 0 C--O 1.212 -0.875 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -124.33 132.69 53.56 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 110.593 -0.151 . . . . 0.0 110.593 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.0 t -64.78 124.14 21.2 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.018 0.437 . . . . 0.0 110.524 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -11.74 19.31 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.62 178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.99 -74.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.335 0.254 . . . . 0.0 110.829 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 29.9 p -93.72 1.03 56.65 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -173.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 64.91 17.35 11.0 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.638 0.375 . . . . 0.0 111.435 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 tpt85 -66.45 122.27 17.17 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-O 120.811 0.339 . . . . 0.0 110.279 175.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -89.4 146.07 24.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.306 -174.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -141.5 161.83 36.96 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.423 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -101.93 -3.41 27.88 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.667 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -134.34 130.35 36.83 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.4 t -58.07 -39.39 78.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -65.74 -34.99 79.46 Favored 'General case' 0 CA--C 1.558 1.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.538 -177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.534 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.6 m170 -75.86 -34.77 60.06 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.9 -0.136 . . . . 0.0 110.86 176.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' A' ' 67' ' ' PHE . 7.2 tt -67.29 -46.9 72.22 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.622 0.249 . . . . 0.0 110.616 174.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -61.91 -34.38 75.95 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.723 0.297 . . . . 0.0 110.613 176.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 -49.5 56.81 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.696 175.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 52.2 t60 -61.97 -32.4 72.85 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.835 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.0 m -54.14 -41.1 68.05 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.66 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -62.01 -23.23 66.3 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 116.695 -0.229 . . . . 0.0 111.475 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.2 p -67.39 -29.35 68.84 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 120.392 0.139 . . . . 0.0 110.893 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -92.99 -23.49 18.67 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.682 0.277 . . . . 0.0 110.751 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.1 m -91.85 -6.07 52.24 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.382 -173.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 61.7 16.08 49.91 Favored Glycine 0 CA--C 1.546 2.002 0 C-N-CA 121.393 -0.432 . . . . 0.0 112.483 -177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.25 95.51 5.01 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.778 0.323 . . . . 0.0 110.719 -174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -121.5 79.34 37.73 Favored Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.471 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -83.38 -17.97 6.16 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 122.629 2.22 . . . . 0.0 113.034 -175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -82.75 77.44 9.5 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.947 0.403 . . . . 0.0 110.927 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.0 p -78.81 143.85 35.65 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.473 ' HA ' HD11 ' A' ' 112' ' ' LEU . 14.0 t -70.48 161.27 30.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.142 0.496 . . . . 0.0 111.098 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -123.48 7.16 8.95 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.863 -177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.22 158.66 83.68 Favored Pre-proline 0 CA--C 1.551 1.0 0 CA-C-O 120.816 0.341 . . . . 0.0 111.009 -177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -50.95 113.54 1.13 Allowed 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.831 -177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t 61.13 27.96 17.69 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.822 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 36.9 t -79.96 171.19 15.43 Favored 'General case' 0 CA--C 1.552 1.058 0 CA-C-O 121.131 0.491 . . . . 0.0 110.746 172.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.451 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.1 OUTLIER -161.74 24.4 0.12 Allowed 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.665 179.813 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.78 140.73 30.15 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-O 120.692 0.282 . . . . 0.0 110.535 -176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -128.51 146.49 50.81 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.925 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -129.39 162.9 26.98 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.938 -179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.75 -1.82 34.04 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.103 -178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -134.18 142.25 47.36 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-O 121.078 0.466 . . . . 0.0 110.661 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.7 p -57.83 -45.12 86.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.674 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -67.32 -33.65 75.71 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.699 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.81 -38.36 85.12 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 97' ' ' CYS . 58.2 tp -67.53 -43.25 81.23 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.803 174.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.4 t -58.02 -41.64 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-O 120.854 0.359 . . . . 0.0 110.161 175.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -47.09 85.18 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.419 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -55.53 -49.09 73.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.804 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -56.62 -39.6 73.91 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.946 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -72.4 -15.56 61.84 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 120.494 0.187 . . . . 0.0 111.208 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 96.3 mtp -103.94 -1.76 27.15 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.965 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.346 0.418 0 CA-C-O 120.681 0.277 . . . . 0.0 111.107 -171.48 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.025 0 C5'-C4'-O4' 104.111 -3.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -1.861 0 O4'-C4'-C3' 108.049 2.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.488 0 C3'-C2'-C1' 97.652 -3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.144 3 O4'-C4'-C3' 111.715 6.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.422 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.406 -3.682 0 C3'-C2'-C1' 97.196 -3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.534 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 O4'--C4' 1.41 -3.274 0 O4'-C1'-C2' 103.175 -2.659 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.646 5.255 1 P-O3'-C3' 124.774 4.229 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.61 0 P-O3'-C3' 123.194 2.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 1 O4'-C4'-C3' 109.695 4.095 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.419 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.901 0 C5'-C4'-O4' 104.264 -3.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.479 H2'' ' C5 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 2 O4'--C4' 1.383 -5.727 4 O4'-C4'-C3' 113.326 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.479 ' C5 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.545 -4.766 2 C4'-C3'-C2' 98.272 -4.928 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . 0.429 " H5'" " H1'" ' B' ' 135' ' ' ' DC' . . . . . . . . 1 C2'--C1' 1.586 4.658 0 P-O3'-C3' 123.891 3.492 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O3' 1.673 5.461 0 O4'-C4'-C3' 109.21 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.388 1 C5'-C4'-C3' 108.598 -4.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O3'-P-O5' 96.404 -3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.271 0 P-O3'-C3' 122.843 2.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 0 O4'-C4'-C3' 108.122 2.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 0 P-O3'-C3' 123.868 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.12 0 P-O3'-C3' 123.549 3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.711 1 P-O3'-C3' 125.317 4.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.633 3.964 1 O4'-C1'-C2' 100.692 -4.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.455 2 P-O3'-C3' 127.854 6.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.527 0 C5'-C4'-O4' 103.243 -3.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.933 0 C5'-C4'-C3' 110.166 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.152 1 O4'-C4'-C3' 110.223 4.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.647 3.294 2 O4'-C4'-C3' 110.998 5.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C4'-C3' 108.212 2.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.149 0 P-O3'-C3' 124.303 3.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.158 1 O4'-C4'-C3' 111.155 5.555 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.274 1 C5'-C4'-C3' 108.625 -4.05 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 0 P-O3'-C3' 124.249 3.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.561 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 1 P--O5' 1.634 4.068 0 O4'-C4'-C3' 109.181 3.581 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.561 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.593 0 P-O3'-C3' 122.999 2.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.753 0 CA-C-O 120.622 0.249 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -73.18 -10.15 59.47 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.099 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.75 179.36 6.74 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 122.85 0.46 . . . . 0.0 110.397 -177.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 72.62 -49.08 0.69 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.234 0.614 . . . . 0.0 111.607 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.451 ' HB2' ' HD3' ' A' ' 6' ' ' PRO . 47.4 mtm180 -71.72 -46.0 12.49 Favored Pre-proline 0 CA--C 1.558 1.268 0 C-N-CA 122.244 0.218 . . . . 0.0 111.43 179.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.451 ' HD3' ' HB2' ' A' ' 5' ' ' ARG . 13.1 Cg_exo -68.73 171.47 13.25 Favored 'Trans proline' 0 C--N 1.37 1.71 0 C-N-CA 122.198 1.932 . . . . 0.0 112.074 176.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -77.62 94.58 4.4 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 172.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.4 ptm -103.67 144.21 31.75 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.197 -175.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 t -80.19 141.99 35.12 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.007 171.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.74 11.46 2.69 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.156 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -63.71 119.47 54.63 Favored Pre-proline 0 CA--C 1.549 0.919 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -48.31 106.86 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 C-N-CA 122.754 2.303 . . . . 0.0 112.711 -177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 127.68 -39.12 1.98 Allowed Glycine 0 CA--C 1.537 1.463 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -170.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 t -111.76 173.71 6.22 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 123.068 0.547 . . . . 0.0 110.719 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.71 117.67 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.292 177.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -154.1 173.7 15.71 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.347 0.118 . . . . 0.0 110.898 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -136.59 133.76 36.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.658 170.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.698 ' CD1' HD23 ' A' ' 24' ' ' LEU . 93.1 m-85 -130.27 163.53 26.56 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.591 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.7 p90 -120.02 -44.35 2.51 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 1.8 tptm -77.06 112.64 13.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 121.04 0.448 . . . . 0.0 110.564 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 21' ' ' LEU . 5.4 tt -43.91 -49.67 8.33 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.85 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.7 p -68.05 -35.5 78.34 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.433 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -72.44 -34.67 67.96 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 119.757 -0.777 . . . . 0.0 109.989 -178.789 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.7 OUTLIER -73.14 -38.19 66.36 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.618 170.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.0 -41.23 87.16 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 110.213 -0.291 . . . . 0.0 110.213 175.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.6 tpt -63.02 -47.61 82.35 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 174.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -58.07 -41.27 83.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.624 0.25 . . . . 0.0 110.646 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.8 m -59.24 -28.17 66.46 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.022 -177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -55.35 -38.34 68.65 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.81 -177.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -57.5 -34.01 68.63 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 120.619 0.247 . . . . 0.0 110.963 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -89.84 -2.73 58.28 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 122.903 0.481 . . . . 0.0 112.17 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.2 p -75.96 -36.56 59.26 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 118.917 -1.113 . . . . 0.0 110.271 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.0 48.87 4.03 Favored Glycine 0 C--N 1.345 1.045 0 N-CA-C 111.975 -0.45 . . . . 0.0 111.975 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -106.42 -18.61 13.93 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 122.4 0.28 . . . . 0.0 111.087 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -55.81 113.78 6.29 Favored Pre-proline 0 CA--C 1.554 1.104 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.215 -171.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.02 109.65 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 C-N-CA 122.787 2.325 . . . . 0.0 112.681 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.648 ' HB3' HD22 ' A' ' 54' ' ' LEU . 15.3 m-85 -120.01 103.79 9.6 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.124 176.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -96.67 157.16 16.03 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.916 0.388 . . . . 0.0 110.755 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.02 156.19 39.49 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.591 171.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -141.0 51.56 1.61 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.854 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' CE2' ' CE1' ' A' ' 61' ' ' HIS . 74.7 m-85 -100.19 -3.94 30.57 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.343 -174.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.99 -53.82 0.67 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 122.967 0.507 . . . . 0.0 110.51 -170.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -72.87 -15.44 61.6 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.943 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -138.62 137.47 36.95 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-O 121.052 0.454 . . . . 0.0 111.094 172.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -143.79 47.42 1.45 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.623 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -71.14 177.28 3.88 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.228 176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.17 147.26 51.88 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.965 0.412 . . . . 0.0 111.079 177.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.17 164.78 29.15 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.584 177.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 p -105.37 -12.23 16.12 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 120.615 0.245 . . . . 0.0 111.49 -176.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -133.25 143.86 49.38 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.846 0.355 . . . . 0.0 110.59 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.5 t -58.54 -37.97 76.8 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.603 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -60.55 -42.71 97.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.066 177.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -61.78 -50.98 70.17 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.436 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 37' ' ' TYR . 44.9 tp -62.76 -46.64 87.1 Favored 'General case' 0 CA--C 1.554 1.117 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.933 178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -64.02 -41.07 97.57 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.376 0.27 . . . . 0.0 111.124 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -63.46 -47.13 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 172.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -60.56 -36.49 78.61 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.105 -178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' HA ' ' HD1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -52.88 -38.18 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.395 0.278 . . . . 0.0 110.777 178.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -55.45 -32.9 63.14 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.719 -0.218 . . . . 0.0 111.488 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -55.69 -34.61 65.21 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 122.047 0.139 . . . . 0.0 111.29 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' HD1' ' HA ' ' A' ' 58' ' ' GLN . 1.3 m80 -87.17 -44.81 11.22 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 120.643 0.258 . . . . 0.0 110.942 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -77.19 -14.32 59.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.255 -173.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.92 3.51 60.16 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.913 174.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.88 124.19 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-O 121.137 0.494 . . . . 0.0 110.818 -175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -124.53 78.76 62.45 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.233 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.0 -20.38 10.18 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.698 2.265 . . . . 0.0 113.039 -172.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' HB3' HD13 ' A' ' 82' ' ' LEU . 96.7 m-85 -79.07 79.54 5.47 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 120.786 0.327 . . . . 0.0 110.648 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -90.81 130.5 36.77 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.864 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -64.77 125.52 25.06 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.189 0.518 . . . . 0.0 111.048 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -2.21 1.59 Allowed 'General case' 0 CA--C 1.565 1.556 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.035 177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -61.65 1.56 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.242 0.217 . . . . 0.0 111.001 -177.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 19.4 p -113.66 4.11 15.92 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.439 -172.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 62.32 17.88 9.75 Favored 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 122.996 0.518 . . . . 0.0 111.869 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -57.49 107.49 0.44 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -88.01 133.78 33.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.056 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -129.05 162.54 27.42 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.352 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 m -104.43 4.89 33.76 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -136.62 137.98 40.7 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.049 0.452 . . . . 0.0 110.853 -176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.3 p -71.7 -35.51 70.25 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.902 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.72 -37.5 82.29 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.002 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.443 ' CE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 2.4 m-70 -64.64 -45.26 87.54 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 172.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 67' ' ' PHE . 5.3 tt -64.61 -46.69 81.56 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.488 0.185 . . . . 0.0 111.009 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -63.31 -34.22 77.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 120.711 0.291 . . . . 0.0 110.676 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 33.7 m -69.14 -49.68 54.71 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.648 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -62.4 -32.86 73.75 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.818 177.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.2 m -53.94 -40.25 66.6 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 122.967 0.507 . . . . 0.0 110.786 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.421 ' HA ' ' OG1' ' A' ' 90' ' ' THR . 86.7 mtt-85 -61.89 -22.77 65.84 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.22 -177.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.2 m -54.34 -35.54 62.83 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.46 172.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -94.93 -33.46 12.77 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.359 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 87' ' ' ARG . 18.9 p -91.4 -6.14 53.32 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 120.63 -0.428 . . . . 0.0 112.144 -169.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.97 2.29 30.02 Favored Glycine 0 CA--C 1.547 2.061 0 C-N-CA 121.312 -0.471 . . . . 0.0 113.009 173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -70.75 92.93 0.91 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.937 0.368 . . . . 0.0 110.627 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -119.31 82.34 23.54 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.339 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.29 -18.19 8.63 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.671 2.247 . . . . 0.0 113.226 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -81.97 79.48 8.48 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.926 0.393 . . . . 0.0 110.992 -175.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 t -78.7 146.02 34.21 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 176.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.437 ' HA ' HD11 ' A' ' 112' ' ' LEU . 16.7 t -70.39 161.26 30.8 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.362 169.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -125.78 5.34 7.4 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.803 -176.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -64.26 149.62 94.14 Favored Pre-proline 0 CA--C 1.549 0.924 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.771 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.12 23.34 0.31 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 123.032 2.488 . . . . 0.0 113.129 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.7 m -162.54 27.07 0.1 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.342 0.257 . . . . 0.0 110.771 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 43.8 t -139.04 152.7 47.8 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-O 121.086 0.47 . . . . 0.0 111.183 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -146.6 32.54 0.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.923 171.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -80.91 143.16 32.88 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.389 -177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -118.82 142.71 47.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.55 161.72 26.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.584 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.16 -0.97 37.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -133.03 139.13 47.05 Favored 'General case' 0 C--O 1.243 0.76 0 CA-C-O 121.13 0.49 . . . . 0.0 110.747 177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 p -57.1 -44.72 83.46 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.654 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -67.61 -33.38 74.87 Favored 'General case' 0 CA--C 1.558 1.264 0 O-C-N 122.251 -0.281 . . . . 0.0 111.456 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -40.98 96.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 174.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.437 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.9 tp -65.56 -44.3 87.21 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.856 173.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.8 -41.41 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 120.81 0.338 . . . . 0.0 110.34 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -64.87 -46.85 80.07 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.538 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -54.53 -49.49 70.13 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.724 179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -56.74 -39.49 74.05 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.941 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.26 -17.0 63.71 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.102 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 94.9 mtp -108.74 3.76 23.0 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.03 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--N 1.345 0.379 0 CA-C-O 120.66 0.267 . . . . 0.0 111.017 -172.691 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.913 0 C5'-C4'-C3' 109.214 -3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.786 0 O4'-C4'-C3' 109.023 3.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.909 0 O4'-C4'-C3' 109.093 3.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.867 0 P-O3'-C3' 124.084 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.388 -5.316 0 C3'-C2'-C1' 97.849 -3.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.443 ' N7 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 1 C5'--C4' 1.544 4.094 0 O4'-C1'-C2' 103.286 -2.558 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.667 0 P-O3'-C3' 124.05 3.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-C2' 102.083 -3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.669 0 O4'-C4'-C3' 109.303 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.544 2.641 1 O4'-C4'-C3' 109.913 4.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.493 1 C5'-C4'-C3' 107.428 -4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-C2' 101.863 -3.852 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C4'-C3' 108.913 3.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.212 0 O3'-P-O5' 96.676 -3.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O3'-P-O5' 97.148 -3.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.001 0 P-O3'-C3' 123.592 3.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 124.475 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.568 0 O4'-C4'-C3' 108.772 3.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 109.507 3.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.15 0 O4'-C4'-C3' 108.768 3.168 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.037 1 P-O3'-C3' 124.629 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.578 0 P-O3'-C3' 124.242 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 2 P-O3'-C3' 124.991 4.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 0 P-O3'-C3' 123.973 3.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.664 0 O4'-C4'-C3' 108.322 2.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 1 O3'-P-O5' 95.197 -4.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.408 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.621 2.768 3 O4'-C4'-C3' 112.335 6.735 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.408 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.536 3.185 0 P-O3'-C3' 122.977 2.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.209 0 O4'-C4'-C3' 108.444 2.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.807 0 O4'-C4'-C3' 108.532 2.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.119 1 O4'-C4'-C3' 110.527 4.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.456 0 O4'-C4'-C3' 109.426 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.593 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.87 1 O4'-C4'-C3' 110.854 5.254 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.593 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 0 C5'-C4'-O4' 104.608 -2.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 120.564 0.221 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -59.71 -25.68 64.99 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.342 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -68.74 -7.87 37.77 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 122.319 0.248 . . . . 0.0 111.424 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -106.26 12.75 29.67 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.313 0.245 . . . . 0.0 110.998 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -110.74 156.59 40.38 Favored Pre-proline 0 N--CA 1.477 0.899 0 C-N-CA 122.459 0.303 . . . . 0.0 110.609 -178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.03 155.6 29.96 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -145.65 155.94 43.33 Favored 'General case' 0 C--O 1.211 -0.961 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.437 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.4 mtp -135.93 143.57 45.0 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 120.951 0.405 . . . . 0.0 110.666 169.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.45 158.72 23.11 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.354 171.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.97 20.04 3.02 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -85.91 122.44 72.81 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 171.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.73 96.59 0.25 Allowed 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.385 2.057 . . . . 0.0 111.631 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 149.11 -22.27 1.25 Allowed Glycine 0 CA--C 1.543 1.843 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -169.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.6 t -131.0 -79.81 0.53 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 122.896 0.479 . . . . 0.0 110.257 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 56.7 40.8 29.01 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 122.82 0.448 . . . . 0.0 111.469 175.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -99.95 167.73 10.31 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-O 120.919 0.39 . . . . 0.0 111.262 -178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -99.4 127.19 45.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.112 0.482 . . . . 0.0 111.522 -171.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.699 ' CD2' HD23 ' A' ' 24' ' ' LEU . 86.8 m-85 -103.44 167.17 9.98 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.818 175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -129.39 47.42 2.49 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.357 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 23' ' ' HIS . 14.2 mttt -179.84 142.85 0.17 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.095 175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -66.53 -55.67 14.44 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.773 0.32 . . . . 0.0 110.365 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -67.97 -35.68 78.79 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.974 -176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -72.91 -32.57 65.42 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.105 -179.085 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -73.0 -32.9 65.44 Favored 'General case' 0 CA--C 1.558 1.282 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.737 169.519 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -41.81 92.92 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 122.095 -0.378 . . . . 0.0 110.385 173.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 27.2 mmt -59.29 -49.85 76.26 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 173.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -58.22 -33.98 69.9 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.154 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -60.97 -35.25 76.29 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.681 -177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -56.31 -38.47 71.31 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.92 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -30.93 66.41 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.497 0.189 . . . . 0.0 111.027 -179.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -89.64 -21.18 22.91 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.671 -177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.8 p -64.02 -33.83 76.62 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.223 171.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -73.35 -8.37 75.13 Favored Glycine 0 CA--C 1.542 1.729 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.672 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.37 -15.83 62.39 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.987 0.394 . . . . 0.0 110.751 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -136.6 77.59 45.54 Favored Pre-proline 0 CA--C 1.556 1.181 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.854 179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -84.76 -179.0 3.5 Favored 'Trans proline' 0 CA--C 1.55 1.278 0 C-N-CA 123.158 2.572 . . . . 0.0 112.415 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' HB3' HD22 ' A' ' 54' ' ' LEU . 39.2 m-85 -130.88 168.54 17.13 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.52 157.71 43.96 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.813 172.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.2 t -62.48 131.18 48.32 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.511 175.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -92.21 6.0 48.32 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.296 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -66.84 154.68 40.31 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.057 0.456 . . . . 0.0 110.951 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -62.26 -35.46 79.04 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.54 -175.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.46 52.52 1.82 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 -173.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 34.2 t -136.66 173.13 12.04 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.091 0.472 . . . . 0.0 110.824 176.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -158.02 21.33 0.26 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.773 -179.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -78.56 162.84 26.01 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 120.842 0.353 . . . . 0.0 110.428 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.91 148.24 40.13 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.554 -178.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 70.4 m-85 -139.06 139.25 37.72 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.408 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.3 m -81.91 -4.19 56.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.272 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -134.41 136.38 43.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.918 0.39 . . . . 0.0 110.583 177.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.1 m -56.4 -41.51 76.42 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.619 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -59.82 -36.47 76.86 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.354 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -72.76 -34.23 66.86 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 37' ' ' TYR . 19.1 tp -64.21 -48.92 74.04 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.502 169.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -56.94 -44.22 82.3 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.679 0.276 . . . . 0.0 110.833 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -59.14 -47.38 85.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.503 175.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 57.2 t60 -60.72 -43.19 98.16 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -53.38 -32.06 47.64 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.553 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -54.91 -33.26 61.91 Favored 'General case' 0 N--CA 1.482 1.145 0 O-C-N 122.349 -0.219 . . . . 0.0 110.628 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -60.55 -42.41 96.5 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.179 175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -86.53 -7.3 58.49 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.455 -173.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.2 p -122.11 -2.96 9.07 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.561 -171.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.24 5.51 21.56 Favored Glycine 0 CA--C 1.55 2.227 0 C-N-CA 121.515 -0.374 . . . . 0.0 113.079 177.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -69.91 118.13 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 120.925 0.393 . . . . 0.0 110.8 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -122.39 87.2 48.6 Favored Pre-proline 0 N--CA 1.475 0.82 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.482 ' HD2' ' HA ' ' A' ' 77' ' ' SER . 83.3 Cg_endo -85.06 -11.99 7.27 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.577 2.185 . . . . 0.0 112.927 -172.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.822 ' HB3' HD13 ' A' ' 82' ' ' LEU . 71.7 m-85 -94.39 127.01 40.0 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -124.13 141.28 52.19 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 120.623 0.249 . . . . 0.0 110.943 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 51.9 t -64.49 148.29 50.97 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.102 0.477 . . . . 0.0 110.318 174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -86.21 -3.25 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.715 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 -77.06 0.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.782 -169.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 28.4 p -84.74 -2.43 57.61 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.618 0.247 . . . . 0.0 111.246 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 58.17 33.39 23.11 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.719 0.408 . . . . 0.0 111.026 -179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -72.3 130.8 41.64 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 170.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -99.09 140.06 33.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.995 0.426 . . . . 0.0 110.846 -177.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -136.66 157.8 45.93 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.482 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 71.2 m -97.04 -3.15 41.95 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.478 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -132.82 130.37 39.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.869 0.366 . . . . 0.0 110.845 -176.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.6 p -63.5 -35.03 79.12 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.241 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.46 -46.43 79.86 Favored 'General case' 0 CA--C 1.555 1.16 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.953 -178.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.521 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 63.1 m170 -63.85 -39.03 93.26 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 121.157 -0.217 . . . . 0.0 111.247 175.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD13 ' HB3' ' A' ' 67' ' ' PHE . 2.9 tt -62.55 -47.09 85.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.404 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.32 -34.24 76.25 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 120.698 0.285 . . . . 0.0 110.708 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 79.3 m -69.65 -49.49 53.26 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.705 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 t60 -60.7 -37.06 80.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.568 175.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.7 m -53.87 -39.41 65.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.901 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -61.61 -27.82 68.92 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 121.185 -0.206 . . . . 0.0 110.481 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.1 m -54.5 -43.38 71.78 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 120.574 0.226 . . . . 0.0 111.179 173.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -84.77 -18.43 35.11 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.948 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.9 m -91.75 -2.85 56.78 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.05 23.19 59.14 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 121.727 -0.273 . . . . 0.0 112.423 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -94.82 133.39 38.59 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.769 0.319 . . . . 0.0 110.9 -174.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -144.37 81.47 11.28 Favored Pre-proline 0 CA--C 1.544 0.738 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.884 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -76.43 -23.86 11.15 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 122.466 2.111 . . . . 0.0 113.08 -171.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 88.2 m-85 -80.59 79.83 7.14 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 17.6 m -84.78 140.99 30.83 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.442 ' HA ' HD11 ' A' ' 112' ' ' LEU . 10.0 t -70.42 161.29 30.78 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.21 0.529 . . . . 0.0 110.793 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -114.89 -84.66 0.61 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.513 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.405 ' HB3' ' HD2' ' A' ' 100' ' ' PRO . 5.6 m95 55.03 176.28 0.04 OUTLIER Pre-proline 0 CA--C 1.577 2.006 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 173.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 99' ' ' TRP . 91.4 Cg_exo -53.67 -33.56 70.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 122.31 2.007 . . . . 0.0 112.624 -177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 87.6 p -167.75 75.49 0.14 Allowed 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.782 177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.414 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 37.9 t -138.08 160.31 39.71 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.063 0.459 . . . . 0.0 111.122 177.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.414 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 21.4 mm-40 -150.38 21.61 0.83 Allowed 'General case' 0 CA--C 1.555 1.138 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.482 173.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -62.61 128.2 34.87 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.1 mttm -108.46 140.6 41.55 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.318 -170.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -130.3 160.88 32.58 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.57 178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.36 -0.93 40.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 -179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 39.2 mtp85 -133.52 139.13 46.45 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.651 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 1.2 p -61.02 -40.69 94.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.42 -33.63 75.56 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.47 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -60.86 -42.55 98.07 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' ' 97' ' ' CYS . 61.2 tp -66.4 -40.12 89.42 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.983 175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.13 -46.44 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -61.74 -46.98 87.26 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.779 178.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -56.77 -40.39 75.77 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.816 176.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -16.4 62.69 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 120.597 0.237 . . . . 0.0 111.059 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 40.8 ttm -105.48 2.01 28.16 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.712 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 . . . . . 0 C--O 1.236 0.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.115 -172.152 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 C5'-C4'-C3' 107.897 -4.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.508 0 O4'-C4'-C3' 109.496 3.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.637 4.381 1 C3'-C2'-C1' 97.098 -4.001 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.878 0 P-O3'-C3' 123.556 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . 0.515 ' C8 ' ' CE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C4'--C3' 1.557 2.894 0 O4'-C1'-C2' 103.53 -2.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.521 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.531 2.449 0 P-O3'-C3' 123.127 2.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.559 1 P-O3'-C3' 124.513 4.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.984 0 O4'-C4'-C3' 108.796 3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.854 1 O3'-P-O5' 94.792 -4.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.404 -2.081 1 C5'-C4'-C3' 108.678 -4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.568 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 0 P--O5' 1.555 -3.786 2 C5'-C4'-C3' 106.236 -5.642 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.568 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.462 3.225 0 C5'-C4'-C3' 110.68 -2.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.569 7.239 0 P-O3'-C3' 123.339 3.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.654 6.087 2 O3'-P-O5' 95.444 -4.503 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.446 1 P-O3'-C3' 124.626 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 1 O3'-P-O5' 95.889 -4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.897 0 P-O3'-C3' 123.975 3.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.73 0 C2'-C3'-O3' 115.7 1.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.081 0 C2'-C3'-O3' 119.108 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.556 2.75 1 P-O3'-C3' 125.796 5.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.93 0 O4'-C4'-C3' 109.299 3.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.973 1 P-O3'-C3' 125.896 5.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.379 1 O5'-C5'-C4' 116.647 4.605 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.371 0 O4'-C4'-C3' 109.104 3.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.705 0 P-O3'-C3' 122.978 2.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 P--O5' 1.643 5.037 1 O3'-P-O5' 94.735 -4.876 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.016 2 O4'-C4'-C3' 111.631 6.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.565 0 O4'-C4'-C3' 109.487 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.17 0 O4'-C4'-C3' 108.793 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.971 0 O4'-C4'-C3' 109.32 3.72 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.401 -4.047 0 P-O3'-C3' 123.557 3.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.362 0 O4'-C4'-C3' 107.748 2.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.552 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.378 2 O4'-C4'-C3' 110.657 5.057 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.552 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 1 C5'--C4' 1.557 5.758 0 P-O3'-C3' 123.038 2.782 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.948 0 CA-C-O 120.665 0.269 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 m -64.31 105.87 1.0 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.892 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pm0 -71.26 -12.59 61.54 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.428 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -75.08 69.27 1.96 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 120.901 0.382 . . . . 0.0 110.613 177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.93 156.46 51.41 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.659 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.34 156.43 58.77 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.548 2.166 . . . . 0.0 111.986 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -81.53 98.74 8.43 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.136 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.3 ttp -97.73 138.83 34.52 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.563 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.38 155.12 15.37 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.55 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.69 -12.71 12.15 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.311 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -68.43 116.46 40.22 Favored Pre-proline 0 CA--C 1.555 1.163 0 CA-C-O 120.493 0.187 . . . . 0.0 110.577 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -64.56 104.82 0.56 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 C-N-CA 122.363 2.042 . . . . 0.0 111.257 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.57 -23.98 2.33 Favored Glycine 0 CA--C 1.539 1.568 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 -169.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' SG ' ' HE2' ' A' ' 16' ' ' LYS . 10.7 t -126.37 -80.47 0.61 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.082 0.553 . . . . 0.0 110.311 172.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 55.97 37.67 29.11 Favored 'General case' 0 CA--C 1.564 1.506 0 C-N-CA 122.694 0.398 . . . . 0.0 111.488 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HE2' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -90.0 162.51 15.34 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 120.906 0.384 . . . . 0.0 111.238 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -98.7 141.7 31.19 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.171 0.51 . . . . 0.0 111.425 -173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.661 ' CD1' HD23 ' A' ' 24' ' ' LEU . 72.9 m-85 -127.83 164.21 22.7 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.197 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -118.69 -8.14 10.43 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.516 -174.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 23' ' ' HIS . 72.7 mmtt -125.59 135.53 52.31 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 177.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -47.38 86.7 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.084 175.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.9 p -68.14 -35.89 78.81 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -77.09 -35.67 56.32 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 120.618 -0.433 . . . . 0.0 109.853 -178.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.661 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.6 OUTLIER -68.4 -36.73 79.55 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.917 169.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.19 -42.73 86.74 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 175.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.7 tpt -61.88 -44.47 96.74 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.487 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -58.11 -36.06 72.36 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.846 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -59.22 -35.21 73.22 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 120.546 0.212 . . . . 0.0 110.9 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -56.03 -38.25 70.3 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' HE3' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -59.36 -32.58 70.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.438 -177.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' CE1' ' HE3' ' A' ' 30' ' ' LYS . 27.1 m-70 -77.94 -21.45 51.06 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 111.454 0.168 . . . . 0.0 111.454 -175.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.7 p -54.93 -26.3 35.2 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.204 173.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.01 0.87 89.54 Favored Glycine 0 CA--C 1.538 1.522 0 C-N-CA 121.605 -0.331 . . . . 0.0 112.549 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -127.27 -3.2 6.26 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 122.65 0.38 . . . . 0.0 111.213 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HE3' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -63.28 111.53 5.22 Favored Pre-proline 0 CA--C 1.559 1.326 0 C-N-CA 122.52 0.328 . . . . 0.0 110.421 178.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.78 128.9 14.74 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.369 2.046 . . . . 0.0 113.34 -169.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' HB3' HD22 ' A' ' 54' ' ' LEU . 97.2 m-85 -127.13 174.21 9.09 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.286 169.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -132.54 150.85 52.09 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.142 169.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 42.5 t -44.61 126.68 5.65 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.529 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -88.12 14.21 9.66 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.262 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -71.24 -9.89 58.86 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.024 173.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.33 -56.79 0.63 Allowed 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 123.315 0.646 . . . . 0.0 110.885 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -86.42 46.08 1.31 Allowed 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 120.876 0.369 . . . . 0.0 110.796 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 53.9 t -144.49 166.18 25.85 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 178.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 2.7 tp10 -141.79 22.21 2.13 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -175.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.77 129.58 36.84 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.79 0.329 . . . . 0.0 110.341 177.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -95.21 156.64 16.23 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.779 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 81.4 m-85 -135.66 164.75 27.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.017 177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.2 p -107.8 4.66 25.79 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -163.8 155.42 16.72 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.752 0.31 . . . . 0.0 110.694 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -44.17 81.9 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.448 177.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -55.6 -42.8 75.36 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.324 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.24 -37.37 66.38 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.089 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -64.06 -48.56 75.75 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 120.795 0.331 . . . . 0.0 110.563 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -58.71 -42.57 88.95 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.572 0.349 . . . . 0.0 110.967 174.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.01 -45.17 91.34 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.662 0.268 . . . . 0.0 110.43 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 85.3 t60 -60.87 -36.91 80.4 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.259 -179.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -53.37 -38.09 63.02 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 120.475 0.179 . . . . 0.0 110.786 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -55.53 -33.21 63.59 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 116.961 -0.109 . . . . 0.0 111.217 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -64.49 -35.92 82.5 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 122.167 0.187 . . . . 0.0 111.222 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -82.51 -43.96 16.53 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -73.77 -25.31 60.09 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.01 2.38 86.85 Favored Glycine 0 CA--C 1.54 1.639 0 CA-C-N 116.562 -0.29 . . . . 0.0 112.476 -178.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.8 p -67.41 130.77 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.114 0.483 . . . . 0.0 111.052 -174.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -129.55 80.43 71.88 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.141 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -77.6 -8.85 17.2 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.731 2.288 . . . . 0.0 112.825 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' HB3' HD13 ' A' ' 82' ' ' LEU . 99.3 m-85 -96.92 75.16 2.66 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 120.737 0.304 . . . . 0.0 110.594 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.553 ' H ' ' NE2' ' A' ' 68' ' ' GLN . 1.9 pm0 -91.1 136.41 33.1 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.6 t -64.69 129.56 40.26 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.232 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -9.11 15.29 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.624 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.91 -60.52 1.52 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.288 0.235 . . . . 0.0 110.907 -175.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 24.9 p -116.03 1.66 13.3 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.408 -174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' HA ' HE21 ' A' ' 73' ' ' GLN . 0.0 OUTLIER 65.09 14.58 9.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 122.787 0.435 . . . . 0.0 111.772 178.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -51.59 108.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 170.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -87.87 135.62 33.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.44 -170.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -132.14 161.4 33.41 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.531 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 m -108.41 2.2 22.24 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -137.51 120.71 16.8 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.876 0.37 . . . . 0.0 110.941 -174.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -54.45 -35.38 62.95 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.413 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -64.57 -46.28 83.46 Favored 'General case' 0 CA--C 1.565 1.534 0 CA-C-O 120.663 0.268 . . . . 0.0 111.003 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.51 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 66.0 m170 -63.69 -36.37 83.63 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.949 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 67' ' ' PHE . 4.9 tt -67.14 -47.11 72.05 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.579 0.228 . . . . 0.0 110.701 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -59.65 -34.28 72.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 120.865 0.365 . . . . 0.0 110.555 175.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 80.4 m -70.41 -49.66 46.66 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -63.6 -30.45 71.56 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.0 m -54.08 -40.69 67.44 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.719 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -62.0 -23.14 66.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.122 -178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.5 m -54.59 -41.28 69.71 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.63 174.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -94.89 -26.3 16.22 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.114 177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.5 m -91.48 -6.22 52.97 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.286 -169.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.32 -17.14 1.97 Allowed Glycine 0 CA--C 1.551 2.313 0 C-N-CA 121.32 -0.467 . . . . 0.0 113.283 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.19 95.58 1.28 Allowed 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 120.968 0.413 . . . . 0.0 110.855 -175.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -116.21 92.87 37.35 Favored Pre-proline 0 CA--C 1.55 0.953 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.151 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -82.73 -21.31 5.05 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 122.517 2.145 . . . . 0.0 113.514 -169.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 89.5 m-85 -83.39 79.04 9.54 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.8 t -88.69 144.48 26.25 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.929 0.395 . . . . 0.0 111.185 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.407 ' HA ' HD11 ' A' ' 112' ' ' LEU . 32.6 t -70.41 152.81 43.66 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.163 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -121.39 11.9 10.79 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.083 -176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -65.78 159.22 70.71 Favored Pre-proline 0 CA--C 1.556 1.182 0 CA-C-O 120.634 0.254 . . . . 0.0 110.685 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -51.98 -33.88 54.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 C-N-CA 123.112 2.541 . . . . 0.0 113.533 -171.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 99.4 p -149.73 87.18 1.48 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.694 0.283 . . . . 0.0 110.538 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.1 t -160.97 -77.51 0.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.517 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 57.05 37.67 28.81 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.258 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.66 169.8 7.29 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 169.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -128.78 140.74 51.57 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.562 0.22 . . . . 0.0 111.107 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -129.32 154.95 46.36 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.657 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.05 -4.37 52.58 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -133.1 139.27 47.03 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.13 0.491 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.43 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 9.5 p -57.19 -46.23 83.04 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.63 177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -66.43 -33.69 76.28 Favored 'General case' 0 CA--C 1.557 1.234 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.412 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -60.82 -43.54 98.1 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 97' ' ' CYS . 66.0 tp -63.11 -45.09 93.66 Favored 'General case' 0 CA--C 1.554 1.1 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.681 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.5 t -57.93 -41.43 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-O 120.747 0.308 . . . . 0.0 110.526 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -65.83 -46.87 76.96 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.592 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.48 -49.66 69.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.788 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -57.08 -39.1 74.31 Favored 'General case' 0 CA--C 1.552 1.047 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.938 176.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.06 -16.96 63.81 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.115 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 60.8 mtt -110.52 6.62 22.13 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.959 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.344 0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 111.0 -173.291 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.171 0 C5'-C4'-C3' 111.486 -2.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.025 0 O4'-C1'-C2' 104.044 -1.869 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 C3'-C2'-C1' 97.37 -3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.797 0 P-O3'-C3' 123.248 2.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.129 0 C3'-C2'-C1' 99.675 -2.161 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.51 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.538 3.328 0 O4'-C1'-C2' 102.114 -3.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 1 P-O3'-C3' 124.575 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.249 0 O4'-C4'-C3' 109.242 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.652 3.763 0 O4'-C4'-C3' 109.56 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.413 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.394 -4.684 2 O4'-C1'-C2' 100.488 -5.102 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.413 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.55 4.913 6 C5'-C4'-O4' 118.467 5.667 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 3 C5'--C4' 1.583 8.955 2 C5'-C4'-C3' 105.692 -6.005 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.84 3 O4'-C4'-C3' 110.992 5.392 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.568 -3.279 2 O3'-P-O5' 93.452 -5.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 P-O3'-C3' 125.749 5.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 0 O3'-P-O5' 97.528 -3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.874 0 P-O3'-C3' 124.003 3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C4'-C3' 108.288 2.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.629 3.631 1 O4'-C4'-C3' 110.031 4.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.412 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.414 -2.948 1 P-O3'-C3' 125.648 4.957 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.546 4.404 1 O4'-C4'-C3' 109.636 4.036 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.168 1 P-O3'-C3' 124.72 4.183 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.635 4.194 1 P-O3'-C3' 125.07 4.475 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.24 0 O4'-C4'-C3' 109.484 3.884 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O3'-P-O5' 98.084 -3.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.867 0 O3'-P-O5' 97.202 -3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.48 0 O4'-C4'-C3' 109.376 3.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 0 P-O3'-C3' 124.244 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.548 4.609 0 C5'-C4'-O4' 114.133 2.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 0 O3'-P-O5' 97.826 -3.249 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.63 0 O4'-C4'-C3' 108.917 3.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.825 2 O4'-C4'-C3' 110.498 4.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.558 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 P-O3'-C3' 123.768 3.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.558 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 0 C3'-C2'-C1' 98.544 -2.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 120.588 0.232 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -64.1 -15.21 59.14 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.493 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.5 pm0 -81.93 -14.49 56.05 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.404 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -81.3 54.18 2.23 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 -173.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -153.22 76.27 6.39 Favored Pre-proline 0 N--CA 1.479 0.99 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.762 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -80.15 160.97 23.46 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.74 2.293 . . . . 0.0 112.243 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 58.6 m-85 -133.5 174.06 10.82 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.914 177.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -136.29 153.77 51.08 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 120.73 0.3 . . . . 0.0 110.542 169.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.416 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 15.4 t -67.66 161.58 25.52 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.8 172.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -106.8 -35.91 6.83 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.472 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -53.63 134.86 54.6 Favored Pre-proline 0 CA--C 1.553 1.092 0 C-N-CA 122.286 0.234 . . . . 0.0 111.399 -172.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -72.87 65.08 4.04 Favored 'Trans proline' 0 C--N 1.366 1.49 0 C-N-CA 123.158 2.572 . . . . 0.0 112.48 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.53 -10.57 0.03 OUTLIER Glycine 0 CA--C 1.537 1.459 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.24 -178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 11.0 t -125.46 -79.78 0.61 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.641 0.376 . . . . 0.0 110.048 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.2 m120 56.4 21.23 5.32 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.01 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.75 -179.41 4.14 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -98.53 157.54 16.17 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 121.336 0.589 . . . . 0.0 111.487 -169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 26.0 m-85 -145.02 170.42 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.35 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' LYS . 9.5 t80 -108.72 -126.84 0.26 Allowed 'General case' 0 CA--C 1.556 1.211 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 169.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' PHE . 92.5 mttt -11.37 106.37 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.267 0 C-N-CA 124.385 1.074 . . . . 0.0 112.625 174.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.3 pt? -47.36 -43.86 23.48 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.529 -177.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -67.99 -36.04 79.34 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.696 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -40.26 92.49 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -67.39 -32.42 73.31 Favored 'General case' 0 CA--C 1.555 1.152 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.135 171.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.23 -38.73 90.34 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 122.349 -0.219 . . . . 0.0 110.472 174.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.9 tpt -64.61 -46.06 84.22 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.705 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -57.83 -44.25 86.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.036 0.446 . . . . 0.0 109.813 178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -58.93 -35.16 72.63 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.649 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.8 tpt85 -58.88 -38.5 78.97 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.876 -0.147 . . . . 0.0 110.751 175.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -58.57 -35.03 71.75 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.452 0.168 . . . . 0.0 110.975 178.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -75.56 -21.42 57.89 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 116.854 -0.157 . . . . 0.0 111.273 -176.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 p -62.17 -14.69 40.14 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.673 171.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -144.88 55.49 0.55 Allowed Glycine 0 CA--C 1.533 1.158 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 112.3 3.9 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 120.938 0.399 . . . . 0.0 110.92 -174.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -130.64 85.64 55.28 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.158 176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -84.9 173.39 8.18 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.861 2.374 . . . . 0.0 112.828 -172.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.856 ' HB3' HD22 ' A' ' 54' ' ' LEU . 60.7 m-85 -131.91 160.82 34.64 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.539 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -132.95 151.79 52.01 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.651 172.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -75.99 162.66 27.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.688 170.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -141.13 74.98 1.48 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.143 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -129.96 161.9 29.85 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.966 -173.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -67.8 -17.54 64.55 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.838 172.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -125.8 8.37 7.51 Favored 'General case' 0 CA--C 1.554 1.12 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.534 -177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.2 t -152.4 138.52 18.26 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 121.339 0.59 . . . . 0.0 112.032 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -142.99 33.2 1.37 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.023 169.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.0 mtt85 -83.64 157.87 22.08 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.409 -170.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.11 151.48 30.77 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.189 0.519 . . . . 0.0 111.15 -177.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -140.31 139.43 35.44 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.061 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.3 p -86.4 4.09 40.91 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -173.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -143.97 140.85 29.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.925 0.393 . . . . 0.0 110.864 176.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.99 -44.55 78.7 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.685 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -58.18 -42.56 86.33 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.03 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -63.54 -48.77 76.13 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.857 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.856 HD22 ' HB3' ' A' ' 37' ' ' TYR . 22.0 tp -58.63 -49.4 77.63 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 120.624 0.25 . . . . 0.0 110.695 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.99 -41.69 97.43 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.158 -175.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -62.04 -47.43 84.76 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.777 0.322 . . . . 0.0 110.199 172.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -60.72 -36.78 79.71 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.041 -178.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.483 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -53.11 -38.32 62.52 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.081 177.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -55.32 -32.96 62.9 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.035 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -55.86 -33.51 64.61 Favored 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.562 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -91.95 -40.69 10.99 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-O 120.561 0.219 . . . . 0.0 111.043 179.811 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.0 p -79.42 -10.55 59.83 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.395 -172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.81 4.74 48.76 Favored Glycine 0 CA--C 1.544 1.905 0 C-N-CA 121.55 -0.357 . . . . 0.0 113.195 172.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -67.82 120.15 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.778 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -123.34 71.68 46.63 Favored Pre-proline 0 CA--C 1.545 0.77 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 174.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.89 -21.24 12.61 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.695 2.263 . . . . 0.0 112.928 -173.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.579 ' HB3' HD13 ' A' ' 82' ' ' LEU . 98.8 m-85 -81.44 76.38 8.37 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 47.8 tt0 -90.87 135.99 33.37 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.777 0.322 . . . . 0.0 111.175 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.19 124.4 22.53 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.476 172.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.67 -9.85 55.94 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.171 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.99 -70.62 0.67 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 122.349 0.259 . . . . 0.0 110.848 -178.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 26.9 p -93.3 -5.78 48.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.477 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 68.51 21.2 8.21 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.902 0.481 . . . . 0.0 111.244 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -72.4 117.06 13.59 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-O 120.753 0.311 . . . . 0.0 110.584 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 96.9 mttt -87.81 137.9 31.93 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -174.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -130.83 158.87 39.0 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.593 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.7 m -102.49 -3.18 27.28 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.311 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -133.6 138.12 45.81 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.998 0.428 . . . . 0.0 110.862 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.3 p -68.28 -35.83 78.47 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.11 179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -63.62 -41.72 98.25 Favored 'General case' 0 CA--C 1.568 1.656 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.959 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.422 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 3.2 m-70 -63.48 -47.5 81.52 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 110.589 -0.152 . . . . 0.0 110.589 172.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.579 HD13 ' HB3' ' A' ' 67' ' ' PHE . 1.4 tt -60.53 -47.64 85.27 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-N 116.768 -0.196 . . . . 0.0 110.967 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.81 -36.93 85.52 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 49.7 m -65.16 -50.03 67.55 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.533 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -63.51 -38.49 91.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.718 179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.4 m -54.21 -41.62 68.84 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.742 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.1 mtm105 -64.37 -22.93 67.11 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 116.702 -0.226 . . . . 0.0 111.096 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 m -54.4 -41.15 68.93 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.31 0.244 . . . . 0.0 110.971 174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -76.25 -18.61 58.92 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.614 0.245 . . . . 0.0 111.06 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.4 p -96.09 -6.23 39.0 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.553 -178.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 65.26 7.63 33.05 Favored Glycine 0 CA--C 1.557 2.668 0 C-N-CA 121.593 -0.337 . . . . 0.0 112.823 -177.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.43 103.61 4.85 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.037 0.446 . . . . 0.0 110.892 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -119.98 91.59 45.75 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.221 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -84.06 -20.84 4.13 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.554 2.169 . . . . 0.0 113.058 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 96.6 m-85 -81.48 75.46 8.44 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -176.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.6 t -78.92 145.92 33.8 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.07 154.76 41.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 121.167 0.508 . . . . 0.0 110.861 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.19 3.7 12.0 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.989 -176.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -65.91 147.38 98.81 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 120.747 0.308 . . . . 0.0 110.735 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -74.54 28.64 0.34 Allowed 'Trans proline' 0 CA--C 1.551 1.339 0 C-N-CA 122.996 2.464 . . . . 0.0 112.862 -176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -163.35 20.55 0.08 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.083 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 36.3 t -146.52 168.33 21.49 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.229 0.538 . . . . 0.0 111.168 -178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 4.2 tp-100 -166.09 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.209 170.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -72.42 145.33 47.73 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.037 176.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -118.61 140.35 50.04 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.906 0.384 . . . . 0.0 111.195 -171.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -124.72 162.71 23.64 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.698 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.04 -6.44 38.72 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.141 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -133.58 143.66 48.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.254 0.549 . . . . 0.0 111.034 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 6.6 p -60.52 -43.16 97.42 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.921 -179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -67.43 -33.78 75.88 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.425 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -60.73 -42.43 97.3 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 174.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.4 tp -65.99 -40.37 91.12 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.949 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.13 -47.53 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.216 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.21 -46.73 88.75 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.486 177.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -57.29 -45.15 84.4 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.096 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -57.33 -33.33 67.61 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.91 176.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -15.66 63.01 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-O 120.442 0.163 . . . . 0.0 111.193 178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 43.5 mtt -86.94 -1.05 57.55 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.296 0.238 . . . . 0.0 111.054 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 . . . . . 0 C--N 1.345 0.391 0 CA-C-O 120.676 0.275 . . . . 0.0 110.434 177.362 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.52 0 C3'-C2'-C1' 97.399 -3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C4'-C3' 108.96 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.636 4.304 1 O5'-C5'-C4' 116.239 4.314 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.822 0 O3'-P-O5' 98.386 -2.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.509 2 O4'-C4'-C3' 110.977 5.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.422 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.536 3.185 0 C4'-C3'-C2' 100.34 -2.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 1 O4'-C4'-C3' 110.552 4.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.899 1 O4'-C1'-C2' 101.533 -4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 O4'-C4'-C3' 111.207 5.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . 0.522 " H1'" " H5'" ' B' ' 134' ' ' ' DT' . . . . . . . . 1 P--O5' 1.646 5.309 0 C5'-C4'-C3' 108.814 -3.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.522 " H5'" " H1'" ' B' ' 133' ' ' ' DG' . . . . . . . . 1 P--O5' 1.642 4.929 1 C5'-C4'-C3' 107.883 -4.545 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.533 0 O4'-C1'-C2' 101.743 -3.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.82 1 O3'-P-O5' 96.064 -4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.202 0 O4'-C4'-C3' 109.36 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.085 0 P-O3'-C3' 123.499 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 1 P-O3'-C3' 124.864 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.918 1 P-O3'-C3' 124.79 4.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.852 0 O4'-C4'-C3' 107.782 2.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.631 3.769 0 C5'-C4'-O4' 115.265 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.403 1 P-O3'-C3' 125.95 5.208 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.157 0 O4'-C4'-C3' 108.5 2.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.206 1 P-O3'-C3' 125.198 4.582 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.555 5.533 1 P-O3'-C3' 125.181 4.568 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.327 1 P-O3'-C3' 125.316 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 1 O4'-C4'-C3' 109.624 4.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.21 0 O3'-P-O5' 97.291 -3.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.44 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 P--O5' 1.626 3.297 0 C5'-C4'-C3' 109.028 -3.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.44 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O3' 1.574 -2.76 2 O4'-C4'-C3' 110.154 4.554 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.854 0 O3'-P-O5' 99.34 -2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.865 0 O3'-P-O5' 98.627 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.424 1 P-O3'-C3' 126.687 5.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 1 C5'-C4'-C3' 106.938 -5.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.603 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C4'-C3' 111.177 5.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.603 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.539 3.516 0 C3'-C2'-C1' 98.828 -2.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.783 0 CA-C-O 120.578 0.227 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -167.78 155.94 9.01 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 120.741 0.305 . . . . 0.0 110.747 178.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.67 -21.76 62.56 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.175 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -135.63 155.72 49.99 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.161 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -125.38 157.73 66.74 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.324 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -52.22 -62.38 0.37 Allowed 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 122.866 2.377 . . . . 0.0 113.114 -174.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -126.02 157.01 38.97 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 120.398 0.142 . . . . 0.0 111.006 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.9 mtp -136.18 157.34 47.06 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.748 0.309 . . . . 0.0 110.902 169.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 49.7 t -72.03 169.52 15.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.22 169.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.465 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -142.13 8.32 1.84 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.791 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 31' ' ' HIS . 45.9 t80 -74.35 138.99 74.89 Favored Pre-proline 0 CA--C 1.551 0.998 0 O-C-N 122.185 -0.322 . . . . 0.0 110.393 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.88 84.42 0.52 Allowed 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.715 2.277 . . . . 0.0 112.15 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 2.24 0.89 Allowed Glycine 0 CA--C 1.545 1.932 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.553 -176.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.6 t -131.6 -74.79 0.52 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 116.78 0.29 . . . . 0.0 110.859 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 39.95 58.17 2.19 Favored 'General case' 0 CA--C 1.562 1.417 0 C-N-CA 122.868 0.467 . . . . 0.0 111.4 -176.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -97.65 -177.55 3.82 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.435 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.37 142.45 50.96 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.069 0.462 . . . . 0.0 111.739 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.598 ' CD1' HD23 ' A' ' 24' ' ' LEU . 70.2 m-85 -129.76 169.69 14.8 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.45 -176.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -118.05 -14.67 9.95 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.611 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 44.2 mttp -130.14 129.96 44.16 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.411 0.284 . . . . 0.0 110.75 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -57.84 -47.6 82.22 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.391 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.1 p -67.9 -46.51 71.4 Favored 'General case' 0 C--O 1.216 -0.689 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.913 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -60.4 -30.24 69.48 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.547 -179.377 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.2 OUTLIER -73.1 -40.54 64.89 Favored 'General case' 0 CA--C 1.552 1.047 0 O-C-N 122.195 -0.316 . . . . 0.0 111.015 170.142 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -58.05 -38.47 76.35 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.688 0.28 . . . . 0.0 110.454 173.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.7 mmt -63.83 -44.84 92.03 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.706 175.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -58.01 -39.05 77.35 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.238 173.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -59.18 -27.84 66.06 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.543 ' NH1' ' H62' ' C' ' 145' ' ' ' DA' . 42.2 mtp85 -55.39 -38.46 68.92 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -56.34 -33.54 65.73 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.09 177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 41.8 m-70 -89.62 -33.01 16.83 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.2 p -52.49 -32.83 42.08 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 120.85 0.357 . . . . 0.0 110.05 173.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -127.37 70.04 0.51 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 169.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.99 94.52 0.64 Allowed 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.994 0.426 . . . . 0.0 110.409 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? 37.75 57.27 4.49 Favored Pre-proline 0 CA--C 1.586 2.337 0 C-N-CA 124.641 1.176 . . . . 0.0 113.389 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 49' ' ' SER . 38.8 Cg_endo -89.84 -25.49 0.49 Allowed 'Trans proline' 0 CA--C 1.553 1.452 0 C-N-CA 122.697 2.264 . . . . 0.0 113.019 174.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.675 ' HB3' HD22 ' A' ' 54' ' ' LEU . 22.0 m-85 -82.53 89.71 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 120.942 0.401 . . . . 0.0 110.8 -174.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -91.48 140.13 30.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.9 t -63.79 156.5 27.11 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 169.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -132.14 20.79 4.46 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.534 177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.468 ' HB3' ' HB3' ' A' ' 44' ' ' CYS . 59.6 t80 -65.56 166.24 10.89 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-O 121.093 0.473 . . . . 0.0 110.897 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -64.66 -16.41 62.77 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.07 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -147.38 24.97 1.11 Allowed 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 -178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HB3' ' HB3' ' A' ' 41' ' ' PHE . 49.1 t -137.64 145.53 42.8 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 121.22 0.533 . . . . 0.0 111.287 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -147.74 29.76 0.91 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.2 175.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -67.91 142.02 56.19 Favored 'General case' 0 C--N 1.345 0.403 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.25 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.9 mtt-85 -108.59 131.47 54.83 Favored 'General case' 0 N--CA 1.46 0.048 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -119.33 164.62 15.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.991 176.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.469 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -93.02 -37.96 11.9 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.347 -175.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.46 ' NH2' HE21 ' A' ' 53' ' ' GLN . 89.5 mtm-85 -111.68 153.1 26.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.151 0.5 . . . . 0.0 111.195 -177.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -42.85 82.64 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.614 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -65.46 -35.15 80.05 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.382 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.46 HE21 ' NH2' ' A' ' 50' ' ' ARG . 88.5 mt-30 -64.27 -48.95 73.75 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 176.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.675 HD22 ' HB3' ' A' ' 37' ' ' TYR . 58.8 tp -63.12 -43.43 98.44 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.964 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -62.05 -45.86 91.67 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-O 120.557 0.217 . . . . 0.0 110.883 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -58.69 -44.02 90.16 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.685 0.278 . . . . 0.0 110.286 175.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -60.73 -42.24 96.93 Favored 'General case' 0 CA--C 1.553 1.08 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.082 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -53.46 -30.62 41.79 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 122.301 0.24 . . . . 0.0 111.456 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -54.96 -33.05 62.02 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 120.495 0.188 . . . . 0.0 110.628 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -57.91 -44.63 86.93 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.362 173.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.7 m-70 -80.62 -25.97 38.05 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.704 0.288 . . . . 0.0 111.321 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -97.29 -1.41 44.74 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.294 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.17 11.86 28.17 Favored Glycine 0 CA--C 1.547 2.063 0 C-N-CA 121.704 -0.284 . . . . 0.0 113.307 175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.4 p -78.1 131.77 33.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-O 121.128 0.49 . . . . 0.0 111.188 -171.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -133.24 78.05 65.14 Favored Pre-proline 0 N--CA 1.475 0.79 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.267 176.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -85.46 -20.51 3.2 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 122.658 2.238 . . . . 0.0 112.961 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 79' ' ' SER . 97.6 m-85 -78.03 84.88 4.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.686 0.279 . . . . 0.0 110.748 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -90.42 141.55 28.63 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.1 0.476 . . . . 0.0 111.186 -176.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.18 148.96 48.84 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.675 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.18 -8.04 58.78 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.68 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.22 -79.03 0.58 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.806 -173.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.4 p -81.13 -10.36 59.67 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 120.514 0.197 . . . . 0.0 111.168 -178.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 67.84 29.21 6.78 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 122.968 0.507 . . . . 0.0 111.504 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.13 129.97 40.29 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 120.661 0.267 . . . . 0.0 110.461 170.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -89.09 145.13 25.65 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 120.937 0.398 . . . . 0.0 111.151 -179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -141.85 167.51 21.97 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.525 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.2 m -104.24 -5.66 21.67 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.488 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -142.89 119.64 11.17 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 120.756 0.312 . . . . 0.0 111.07 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 10.1 p -61.58 -20.64 63.52 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -177.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.7 -37.74 73.59 Favored 'General case' 0 CA--C 1.553 1.07 0 CA-C-O 120.634 0.254 . . . . 0.0 110.728 175.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.499 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 62.9 m170 -73.84 -31.17 63.07 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.643 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.37 -47.79 69.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.523 0.202 . . . . 0.0 110.839 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -62.74 -37.36 86.26 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 120.827 0.346 . . . . 0.0 110.428 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.3 m -63.35 -49.49 73.7 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.539 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -64.11 -31.42 72.61 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.04 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.2 m -54.07 -38.25 65.1 Favored 'General case' 0 C--O 1.245 0.825 0 C-N-CA 122.821 0.448 . . . . 0.0 110.644 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -61.49 -22.57 65.21 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.947 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.2 m -54.48 -42.93 71.29 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.134 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 -21.84 25.29 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.841 0.353 . . . . 0.0 110.791 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.9 m -91.76 -3.09 56.6 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.201 -173.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 52.51 20.1 7.07 Favored Glycine 0 CA--C 1.549 2.195 0 CA-C-N 116.475 -0.33 . . . . 0.0 112.408 -175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.95 88.77 4.12 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 120.859 0.361 . . . . 0.0 111.017 -169.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -112.56 80.81 3.81 Favored Pre-proline 0 CA--C 1.552 1.02 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.797 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -83.29 -19.94 5.23 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.748 2.298 . . . . 0.0 112.949 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 93.3 m-85 -80.26 77.28 7.01 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.995 0.426 . . . . 0.0 110.743 -176.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 105' ' ' LYS . 47.6 t -78.77 146.14 33.99 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.746 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.2 155.33 40.79 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.056 170.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -124.46 8.05 8.36 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.673 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -63.63 151.53 88.14 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.668 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 4.9 2.08 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 122.824 2.349 . . . . 0.0 113.303 -173.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.3 p -146.81 36.18 0.95 Allowed 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.833 177.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 103' ' ' GLN . 25.1 t -145.76 165.51 28.6 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 121.212 0.53 . . . . 0.0 111.313 -179.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.406 ' N ' ' SG ' ' A' ' 102' ' ' CYS . 0.0 OUTLIER -160.29 21.22 0.15 Allowed 'General case' 0 CA--C 1.554 1.134 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.31 173.176 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' SG ' ' A' ' 102' ' ' CYS . 42.1 mtmt -77.58 146.9 35.96 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.189 -176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 96' ' ' SER . 32.7 mttm -128.46 143.55 51.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.056 0.455 . . . . 0.0 111.272 -170.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.44 160.11 31.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.649 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -96.58 2.19 52.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.166 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -134.3 138.67 45.14 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-O 121.166 0.508 . . . . 0.0 110.823 177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 3.0 p -59.18 -44.01 92.18 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.927 179.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -67.52 -33.78 75.77 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -60.75 -41.35 95.25 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.0 tp -67.15 -40.59 86.72 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.981 174.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.13 -44.99 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 CA-C-O 120.681 0.277 . . . . 0.0 110.268 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.79 -46.84 83.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.363 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.97 -46.14 75.05 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.118 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -57.38 -33.64 68.03 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.865 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.32 -18.52 65.21 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 116.848 -0.16 . . . . 0.0 111.207 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 49.8 mtt -77.51 -19.16 56.27 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 120.492 0.187 . . . . 0.0 110.919 175.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.345 0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.398 177.231 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . 0.409 H2'' ' C8 ' ' B' ' 125' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.137 0 O4'-C4'-C3' 108.783 3.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . 0.409 ' C8 ' H2'' ' B' ' 124' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.774 0 C5'-C4'-O4' 103.155 -3.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.569 1 O4'-C1'-C2' 99.969 -5.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 2 C2'--C1' 1.6 5.67 2 O4'-C4'-C3' 110.43 4.83 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.132 3 C1'-O4'-C4' 102.484 -5.154 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.499 ' N7 ' ' HE1' ' A' ' 81' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.733 0 P-O3'-C3' 124.265 3.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.255 1 C5'-C4'-C3' 108.176 -4.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.561 6.279 0 P-O3'-C3' 124.367 3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.402 -3.959 0 P-O3'-C3' 124.464 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 0 O4'-C1'-C2' 103.09 -2.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.887 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.517 1 O4'-C1'-C2' 101.373 -4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.408 -3.412 1 P-O3'-C3' 125.316 4.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 0 C4'-C3'-C2' 99.924 -3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.353 1 O3'-P-O5' 95.528 -4.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.525 0 O3'-P-O5' 97.289 -3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.053 0 P-O3'-C3' 123.735 3.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.757 0 O4'-C4'-C3' 109.185 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.587 0 C2'-C3'-O3' 118.739 3.015 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . 0.411 " H1'" " H5'" ' C' ' 144' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.46 3 O4'-C4'-C3' 110.197 4.597 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . 0.411 " H5'" " H1'" ' C' ' 143' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.41 -3.235 0 O3'-P-O5' 96.611 -3.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . 0.543 ' H62' ' NH1' ' A' ' 29' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.812 1 P-O3'-C3' 124.588 4.074 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.395 -4.591 1 O5'-C5'-C4' 119.566 6.69 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.49 0 O3'-P-O5' 97.278 -3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.637 2.527 0 P-O3'-C3' 123.084 2.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . 0.408 H2'' " H5'" ' C' ' 150' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.4 -4.149 2 O3'-P-O5' 94.949 -4.763 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.408 " H5'" H2'' ' C' ' 149' ' ' ' DG' . . . . . . . . 0 P--O5' 1.626 3.334 1 O4'-C4'-C3' 110.864 5.264 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.571 3.573 2 O4'-C1'-C2' 100.477 -5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 0 O4'-C4'-C3' 109.266 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.11 1 O4'-C4'-C3' 111.075 5.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 2 O4'--C4' 1.391 -5.01 0 O4'-C1'-C2' 110.478 3.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.511 1 P-O3'-C3' 124.916 4.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.602 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.399 -1.639 1 O4'-C4'-C3' 110.5 4.9 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.602 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.54 3.677 0 P-O3'-C3' 122.513 2.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.932 0 CA-C-O 120.321 0.105 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 73.85 -47.85 0.66 Allowed 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 123.37 0.668 . . . . 0.0 111.535 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 67.32 -63.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 123.259 0.624 . . . . 0.0 110.799 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 130.34 39.27 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -143.73 158.39 56.64 Favored Pre-proline 0 N--CA 1.474 0.732 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.395 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.34 112.57 3.48 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.482 2.122 . . . . 0.0 112.617 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -129.99 142.66 50.6 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.594 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.45 148.59 47.8 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.206 0.527 . . . . 0.0 111.374 169.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 10' ' ' ALA . 44.5 t -71.42 173.57 7.71 Favored 'General case' 0 CA--C 1.556 1.18 0 CA-C-N 115.338 -0.847 . . . . 0.0 109.971 169.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -140.68 4.26 1.92 Allowed 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.264 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -69.81 135.17 87.83 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -56.09 -19.16 25.64 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.864 2.376 . . . . 0.0 113.721 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.34 -1.24 58.03 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 121.38 -0.438 . . . . 0.0 112.675 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 41.2 t -137.49 -92.28 0.23 Allowed 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 116.567 0.183 . . . . 0.0 110.973 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.73 39.47 20.9 Favored 'General case' 0 CA--C 1.565 1.553 0 CA-C-O 120.807 0.337 . . . . 0.0 111.14 -178.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.84 166.13 12.34 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.909 0.385 . . . . 0.0 111.238 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.87 130.47 46.89 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.195 0.521 . . . . 0.0 111.464 -174.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.762 ' CD1' HD23 ' A' ' 24' ' ' LEU . 75.1 m-85 -114.6 166.26 11.91 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.376 1.07 . . . . 0.0 110.598 178.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -120.53 -15.18 8.54 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.763 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 3.9 mmpt? -120.89 132.24 54.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.688 0.28 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.95 -50.15 74.36 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.807 0.337 . . . . 0.0 110.547 -179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 p -68.09 -36.09 79.23 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.58 -39.02 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.524 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' CD1' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -68.05 -35.34 78.07 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.19 171.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -42.59 98.46 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 tpt -64.21 -43.33 95.34 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.572 176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -58.03 -43.74 86.93 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.751 0.31 . . . . 0.0 110.377 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -58.99 -29.93 67.59 Favored 'General case' 0 CA--C 1.524 -0.049 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.84 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HD3' ' H71' ' B' ' 134' ' ' ' DT' . 2.4 tmm_? -55.32 -38.43 68.7 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.577 -178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -56.48 -35.7 68.27 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -89.72 -13.74 36.21 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.2 p -58.87 -37.59 76.9 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 120.332 -0.547 . . . . 0.0 111.241 -170.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.74 26.12 24.56 Favored Glycine 0 CA--C 1.538 1.497 0 CA-C-N 116.451 -0.341 . . . . 0.0 112.546 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -66.76 -14.36 62.49 Favored 'General case' 0 CA--C 1.554 1.124 0 CA-C-N 116.878 0.339 . . . . 0.0 111.329 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.65 92.88 12.95 Favored Pre-proline 0 CA--C 1.557 1.217 0 C-N-CA 122.319 0.248 . . . . 0.0 110.964 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -78.46 169.01 20.6 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.616 2.211 . . . . 0.0 112.641 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' HB3' HD22 ' A' ' 54' ' ' LEU . 13.1 m-85 -137.31 163.82 30.07 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.518 176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -132.82 147.42 52.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 169.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.9 t -75.16 169.95 17.01 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 120.926 0.393 . . . . 0.0 110.596 169.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -129.9 2.08 4.85 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.976 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -64.23 152.13 41.72 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 42' ' ' LYS . 0.5 OUTLIER -55.95 -62.86 1.42 Allowed 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.367 -172.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -85.83 47.53 1.46 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.921 0.391 . . . . 0.0 110.56 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -146.05 -107.22 0.1 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 67.78 32.3 5.4 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.002 0.43 . . . . 0.0 110.298 -170.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' NH2' HH21 ' A' ' 60' ' ' ARG . 70.9 mtt85 -90.06 149.94 22.29 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.337 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.29 154.14 23.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.236 0.541 . . . . 0.0 111.067 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' ' CG ' ' A' ' 57' ' ' HIS . 87.8 m-85 -140.21 164.79 29.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.658 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.5 p -105.95 -8.06 17.82 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' HE21 ' A' ' 53' ' ' GLN . 92.9 mtm-85 -141.34 156.3 45.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.105 0.479 . . . . 0.0 111.16 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.93 -44.63 91.38 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.489 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.5 -34.36 77.76 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.297 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.496 HE21 ' NH2' ' A' ' 50' ' ' ARG . 78.7 mt-30 -62.86 -50.35 71.25 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 37' ' ' TYR . 66.4 tp -62.07 -45.92 91.39 Favored 'General case' 0 CA--C 1.553 1.085 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.831 176.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -65.26 -40.19 93.63 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.25 0.22 . . . . 0.0 111.27 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -61.79 -44.39 96.96 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 172.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.418 ' CG ' ' CZ ' ' A' ' 48' ' ' PHE . 3.1 t60 -60.74 -38.13 84.13 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.19 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -53.3 -31.67 45.11 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 122.24 0.216 . . . . 0.0 111.308 178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HE ' ' HB ' ' A' ' 64' ' ' VAL . 14.4 mmp_? -55.03 -32.93 62.24 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.406 0.146 . . . . 0.0 110.845 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.498 HH11 H5'' ' B' ' 129' ' ' ' DG' . 51.1 ttt85 -55.73 -41.61 74.14 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 122.428 0.291 . . . . 0.0 111.42 174.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -82.97 -45.83 13.63 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.695 0.284 . . . . 0.0 110.782 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 67.3 p -76.2 -9.47 58.66 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.631 -175.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.62 1.42 23.15 Favored Glycine 0 CA--C 1.547 2.092 0 C-N-CA 121.724 -0.274 . . . . 0.0 112.895 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' HB ' ' HE ' ' A' ' 59' ' ' ARG . 66.1 t -71.21 108.78 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 120.984 0.421 . . . . 0.0 110.901 -173.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -117.67 85.48 21.73 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.035 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD3' HG12 ' A' ' 64' ' ' VAL . 81.2 Cg_endo -85.78 -20.28 3.09 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.671 2.247 . . . . 0.0 113.068 -170.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -79.09 74.66 5.63 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.553 0.216 . . . . 0.0 110.633 -178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HA ' ' HA ' ' A' ' 75' ' ' LYS . 45.1 tt0 -91.06 130.61 36.94 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.821 0.343 . . . . 0.0 111.345 -176.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 49.4 t -64.74 124.26 21.47 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.317 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' HE3' ' HA ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -68.84 -11.75 60.81 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.265 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.36 -72.92 0.43 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.682 0.277 . . . . 0.0 110.716 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.29 -8.51 35.74 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.597 -173.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 72.14 21.33 3.98 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.868 0.467 . . . . 0.0 111.127 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 106.92 1.27 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.595 171.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 68' ' ' GLN . 1.3 ptpm? -87.88 126.27 34.95 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.11 -177.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.09 162.36 18.32 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.72 -178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.2 p -103.41 1.7 32.89 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.177 176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -140.18 143.5 36.13 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 p -68.27 -33.84 75.09 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.043 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -66.72 -38.28 86.38 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 120.553 0.216 . . . . 0.0 111.192 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.496 ' HE1' ' N7 ' ' B' ' 129' ' ' ' DG' . 56.9 m170 -71.31 -37.79 71.77 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.554 174.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 tt -64.5 -46.47 82.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 120.531 0.205 . . . . 0.0 110.849 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -64.51 -34.33 77.98 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 120.683 0.278 . . . . 0.0 110.602 177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 48.4 m -66.38 -49.58 66.36 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.491 175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.3 t60 -62.72 -34.12 76.52 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.011 176.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.9 m -54.27 -41.19 68.57 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.612 176.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 95.6 mtm-85 -62.22 -24.22 67.11 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.272 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.1 p -68.9 -34.38 75.32 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.365 0.126 . . . . 0.0 110.932 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -83.1 -20.24 35.23 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 120.775 0.321 . . . . 0.0 110.671 175.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 7.2 m -91.83 -6.15 52.16 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.19 53.26 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 121.346 -0.454 . . . . 0.0 112.349 -175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.93 108.04 15.97 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -124.03 80.98 57.25 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.337 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -83.38 -22.96 3.67 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 122.723 2.282 . . . . 0.0 112.893 -174.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CE1' ' HB3' ' A' ' 109' ' ' SER . 94.2 m-85 -76.19 77.23 3.0 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.988 0.423 . . . . 0.0 110.677 -177.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -82.91 142.46 31.42 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.602 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.444 ' HA ' HD11 ' A' ' 112' ' ' LEU . 21.7 t -70.45 160.42 32.41 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.113 0.483 . . . . 0.0 110.947 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -120.73 6.55 10.47 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.919 -176.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -68.59 162.65 61.03 Favored Pre-proline 0 CA--C 1.554 1.111 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.734 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -47.78 106.33 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 123.079 2.519 . . . . 0.0 113.171 -174.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.5 t 61.75 20.7 11.61 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.092 176.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 97' ' ' CYS . 38.4 t -73.69 156.08 38.3 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 121.004 0.431 . . . . 0.0 110.745 176.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -146.92 22.61 1.23 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.839 177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -77.87 132.74 38.11 Favored 'General case' 0 C--N 1.344 0.365 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -128.42 138.0 52.11 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.778 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -125.82 162.42 25.18 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.823 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -101.11 1.99 39.85 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -135.91 135.08 39.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.066 0.46 . . . . 0.0 110.484 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.431 ' HB3' ' CE1' ' A' ' 95' ' ' PHE . 4.2 p -57.51 -43.3 84.14 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -67.32 -33.49 75.38 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.564 178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.57 -41.74 95.25 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 97' ' ' CYS . 62.5 tp -66.11 -41.4 90.64 Favored 'General case' 0 CA--C 1.553 1.071 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.857 175.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.2 -42.43 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.65 -46.94 83.36 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.344 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -54.37 -48.6 71.32 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.662 -0.244 . . . . 0.0 110.789 178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -56.69 -39.73 74.34 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.954 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -71.74 -15.62 62.19 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.811 -0.177 . . . . 0.0 111.188 -178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 54.3 mtm -106.73 3.43 26.61 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 122.232 0.213 . . . . 0.0 110.991 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.344 0.328 0 CA-C-O 120.731 0.301 . . . . 0.0 111.027 -172.268 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 C5'-C4'-C3' 109.645 -3.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.754 0 O3'-P-O5' 99.768 -2.227 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-C2' 101.531 -4.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.407 -3.58 0 C5'-C4'-O4' 103.592 -3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 C1'-O4'-C4' 105.854 -2.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ' DG' . . . . . 0.498 H5'' HH11 ' A' ' 60' ' ' ARG . . . . . . . . 0 O4'--C4' 1.412 -3.125 0 O4'-C1'-C2' 102.586 -3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 2 O4'-C4'-C3' 111.825 6.225 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.546 2.817 0 O4'-C1'-C2' 102.222 -3.526 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.198 1 O4'-C4'-C3' 109.8 4.2 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.399 -4.305 2 O3'-P-O5' 94.774 -4.856 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ' DT' . . . . . 0.483 H2'' ' C6 ' ' B' ' 135' ' ' ' DC' . . . . . . . . 1 O4'--C4' 1.389 -5.194 2 C5'-C4'-C3' 107.544 -4.771 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ' DC' . . . . . 0.483 ' C6 ' H2'' ' B' ' 134' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.384 -5.592 2 O5'-C5'-C4' 118.961 6.258 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.949 1 O4'-C4'-C3' 109.748 4.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.217 2 P-O3'-C3' 124.802 4.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.124 2 P-O3'-C3' 125.329 4.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.05 2 O4'-C4'-C3' 109.997 4.397 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.109 1 P-O3'-C3' 125.341 4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 141' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 0 O4'-C4'-C3' 108.928 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 142' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.942 0 O4'-C4'-C3' 109.175 3.575 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 143' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.891 1 O3'-P-O5' 95.814 -4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 144' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.62 1 O4'-C4'-C3' 110.566 4.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 145' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.405 -3.684 2 C4'-C3'-C2' 98.222 -4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 146' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.176 1 O5'-C5'-C4' 118.089 5.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 147' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.791 0 O4'-C4'-C3' 108.754 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 148' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.2 0 C5'-C4'-C3' 109.021 -3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 149' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.549 4.806 1 C4'-C3'-C2' 98.419 -4.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' C' C ' 150' ' ' ' DC' . . . . . 0.425 H2'' ' C6 ' ' C' ' 151' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.421 -2.294 1 O4'-C4'-C3' 110.399 4.799 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 151' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' C' ' 150' ' ' ' DC' . . . . . . . . 0 P--O5' 1.63 3.718 0 P-O3'-C3' 122.579 2.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 152' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.022 0 O4'-C4'-C3' 108.095 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 153' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 P--O5' 1.64 4.653 0 O4'-C4'-C3' 108.697 3.097 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 154' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.403 -3.905 0 P-O3'-C3' 124.102 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 155' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.7 0 O4'-C4'-C3' 109.599 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 156' ' ' ' DC' . . . . . 0.542 H2'' ' C8 ' ' C' ' 157' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.192 0 O4'-C4'-C3' 109.164 3.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 157' ' ' ' DG' . . . . . 0.542 ' C8 ' H2'' ' C' ' 156' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.418 -2.542 0 O4'-C4'-C3' 108.467 2.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_