data_2lv2_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 2lv2 _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 ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -128.99 124.94 36.31 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.728 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -124.85 126.69 45.98 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 t -61.83 102.69 0.33 Allowed Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.545 ' HD2' HD21 ' A' ' 48' ' ' LEU . 85.1 Cg_exo -49.57 -17.45 1.86 Allowed 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 124.463 3.442 . . . . 0.0 117.125 -165.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.29 -26.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 C-N-CA 122.716 0.406 . . . . 0.0 111.603 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.18 117.91 17.06 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.132 0.573 . . . . 0.0 110.016 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.01 110.52 3.54 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -158.72 119.38 3.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -172.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 m -71.21 115.81 10.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.241 0.616 . . . . 0.0 111.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -114.77 128.81 56.51 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.651 0.78 . . . . 0.0 108.921 172.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.75 -46.52 21.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.9 m -78.29 140.01 38.85 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.444 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -78.2 -35.31 48.74 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.275 0.63 . . . . 0.0 110.633 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.27 -23.95 68.59 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.78 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.35 -32.28 68.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.585 0.754 . . . . 0.0 111.117 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -67.64 -49.25 63.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.838 0.855 . . . . 0.0 110.578 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.87 -40.91 95.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -68.56 -34.81 76.48 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.22 0.325 . . . . 0.0 110.49 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.48 -22.59 63.6 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.567 0.222 . . . . 0.0 110.647 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD21 ' HD2' ' A' ' 32' ' ' PRO . 91.2 mt -79.84 -66.62 0.85 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.988 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -62.55 -21.04 65.27 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -167.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -89.49 -65.42 1.02 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.288 0.635 . . . . 0.0 110.924 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -96.26 -60.06 1.7 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.038 0.535 . . . . 0.0 111.411 -170.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -92.65 47.35 1.29 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.057 0.943 . . . . 0.0 111.738 -171.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.13 -5.09 53.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.451 -175.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.68 -34.51 75.8 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.678 0.391 . . . . 0.0 111.455 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -87.13 -30.96 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.569 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.51 140.42 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.069 0.547 . . . . 0.0 110.468 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -113.84 95.76 38.72 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 123.939 0.896 . . . . 0.0 110.725 -173.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.544 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 87.5 Cg_endo -79.88 121.07 4.42 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.991 2.461 . . . . 0.0 112.807 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -67.93 101.61 1.13 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -55.08 -27.02 41.8 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -155.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -76.62 -20.35 56.83 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.828 0.451 . . . . 0.0 111.572 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 30.7 p -133.5 154.72 80.95 Favored Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.202 1.001 . . . . 0.0 109.695 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.12 4.55 4.19 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.315 2.01 . . . . 0.0 113.738 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.54 95.89 0.11 Allowed 'General case' 0 C--O 1.25 1.084 0 C-N-CA 123.381 0.672 . . . . 0.0 110.228 173.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 29.4 m -93.23 123.49 36.54 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.174 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.04 157.69 17.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.441 0.696 . . . . 0.0 110.507 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.406 ' HE2' ' HG2' ' A' ' 32' ' ' PRO . 45.8 m-85 -109.58 22.18 16.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.029 0.932 . . . . 0.0 109.525 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -155.18 150.55 27.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.679 0.792 . . . . 0.0 109.607 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -70.57 -48.4 16.94 Favored Pre-proline 0 CA--C 1.562 1.41 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.475 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 26.3 Cg_endo -59.27 -40.77 65.56 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 122.122 1.882 . . . . 0.0 112.383 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.8 59.45 Favored Glycine 0 C--N 1.356 1.639 0 O-C-N 123.362 0.414 . . . . 0.0 113.616 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.9 -59.41 4.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.537 1.135 . . . . 0.0 111.606 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -72.75 -27.58 62.11 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.121 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 64.5 mtp180 -64.53 -23.81 67.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.315 0.384 . . . . 0.0 112.029 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.07 -50.47 27.97 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -29.48 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.75 -50.64 9.02 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.161 0.584 . . . . 0.0 110.774 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -92.96 -62.7 1.33 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.8 t -102.28 7.93 40.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.574 0.75 . . . . 0.0 112.599 -164.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.273 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -144.41 125.52 14.55 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.63 1.172 . . . . 0.0 108.089 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.5 141.98 45.61 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.17 0.588 . . . . 0.0 110.386 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 35.8 t -83.01 95.56 0.29 Allowed Pre-proline 0 N--CA 1.478 0.936 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 168.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HD2' HD22 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -53.36 -16.65 7.59 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 123.811 3.007 . . . . 0.0 116.322 -164.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -82.83 -31.41 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.245 0.618 . . . . 0.0 111.303 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 p -138.14 147.31 43.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.46 0.704 . . . . 0.0 110.803 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 109.5 2.92 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.7 108.19 0.48 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -166.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -108.57 134.88 50.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.622 0.769 . . . . 0.0 110.939 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -139.91 142.01 36.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.497 1.119 . . . . 0.0 109.002 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.52 -37.66 36.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.909 0.484 . . . . 0.0 109.715 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 p -77.89 123.55 26.9 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.012 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 21.3 ttpp -68.1 -30.3 69.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.097 0.559 . . . . 0.0 111.234 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.35 -34.74 89.35 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.226 0.329 . . . . 0.0 112.595 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.155 0.582 . . . . 0.0 110.524 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -65.77 -44.64 85.22 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.117 0.567 . . . . 0.0 110.166 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 59.9 mm-40 -56.81 -52.6 64.44 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 124.113 0.883 . . . . 0.0 110.565 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.24 -27.81 68.92 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.728 0.643 . . . . 0.0 112.552 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.483 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -70.57 -28.05 64.59 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 176.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.537 HD22 ' HD2' ' A' ' 32' ' ' PRO . 97.0 mt -86.28 -67.66 0.79 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.069 0.547 . . . . 0.0 111.798 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 16.0 ptm180 -57.76 -30.5 65.67 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 68.4 mt -95.5 -62.69 1.26 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.7 0.4 . . . . 0.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.7 mt -85.96 -49.0 8.18 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -168.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -116.65 54.68 0.84 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.049 0.928 . . . . 0.0 110.775 -169.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -87.79 7.33 30.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.189 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.58 62.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.095 0.958 . . . . 0.0 112.403 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.577 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -106.05 -26.17 11.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.753 0.421 . . . . 0.0 111.848 -177.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 53' ' ' ALA . 33.2 m -85.69 141.38 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.53 86.67 12.85 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.16 0.984 . . . . 0.0 110.344 -177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 84.1 Cg_endo -79.53 130.23 8.79 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.764 2.309 . . . . 0.0 112.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.98 103.76 0.25 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.98 -17.58 64.54 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -157.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -92.79 -22.54 19.28 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.112 0.565 . . . . 0.0 112.02 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -135.39 148.24 65.25 Favored Pre-proline 0 N--CA 1.485 1.288 0 CA-C-O 118.906 -0.569 . . . . 0.0 110.202 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.95 92.12 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 121.95 1.767 . . . . 0.0 112.219 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.88 95.53 1.53 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.641 1.177 . . . . 0.0 109.178 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 25.2 m -92.26 122.11 34.42 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.484 0.714 . . . . 0.0 110.79 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.99 168.92 8.87 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.065 0.946 . . . . 0.0 109.708 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' HD1' HG11 ' A' ' 56' ' ' VAL . 24.6 t80 -121.51 16.54 11.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.633 0.73 . . . . 0.0 109.751 175.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -133.6 138.89 46.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.306 0.642 . . . . 0.0 110.113 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 m -63.66 -44.68 81.29 Favored Pre-proline 0 CA--C 1.569 1.71 0 C-N-CA 123.968 0.907 . . . . 0.0 111.567 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 36.5 Cg_endo -64.94 -36.04 40.82 Favored 'Trans proline' 0 C--N 1.402 3.384 0 C-N-CA 121.785 1.657 . . . . 0.0 111.523 169.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.31 91.89 Favored Glycine 0 C--N 1.364 2.114 0 O-C-N 123.587 0.555 . . . . 0.0 113.027 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.5 -48.82 74.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.888 1.275 . . . . 0.0 110.414 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 m -74.91 -26.11 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.187 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.2 mtt-85 -61.28 -32.5 72.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.18 0.592 . . . . 0.0 111.593 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -52.79 41.13 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.28 -32.92 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.804 1.242 . . . . 0.0 112.126 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -81.78 -58.49 2.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.277 0.631 . . . . 0.0 110.002 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -90.65 -61.2 1.73 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.461 0.704 . . . . 0.0 112.656 -167.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -101.94 10.11 39.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.516 0.727 . . . . 0.0 112.099 -167.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 . . . . . 0 CA--C 1.564 1.498 0 C-N-CA 124.11 0.964 . . . . 0.0 109.497 178.379 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.614 0.245 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -71.82 128.42 35.69 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.06 0.944 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.15 136.69 47.4 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.86 0.464 . . . . 0.0 110.862 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -67.19 111.41 7.14 Favored Pre-proline 0 N--CA 1.485 1.295 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.448 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD2' HD21 ' A' ' 48' ' ' LEU . 40.1 Cg_exo -39.01 -38.81 1.19 Allowed 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 125.041 3.827 . . . . 0.0 116.013 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 t -79.95 -23.31 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.605 0.762 . . . . 0.0 111.71 -172.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 23.1 p -145.2 118.2 8.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.978 0.511 . . . . 0.0 110.161 177.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.27 107.37 1.78 Allowed Glycine 0 C--N 1.353 1.487 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -154.34 126.37 7.76 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -77.24 115.68 17.22 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.963 0.789 . . . . 0.0 111.547 -167.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -121.53 125.37 46.62 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.656 0.782 . . . . 0.0 108.97 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.51 -43.31 27.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -77.8 133.49 38.2 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.836 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -62.55 -35.03 78.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.683 0.793 . . . . 0.0 110.906 173.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.72 90.7 Favored Glycine 0 C--N 1.346 1.102 0 O-C-N 123.3 0.375 . . . . 0.0 112.953 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -33.97 70.35 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.533 0.733 . . . . 0.0 110.934 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -69.41 -47.6 63.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.986 0.914 . . . . 0.0 109.874 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -46.01 90.79 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.835 1.654 . . . . 0.0 111.636 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -66.39 -30.36 70.72 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.575 0.547 . . . . 0.0 111.53 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 2.4 t-80 -69.01 -22.21 64.08 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.477 HD21 ' HD2' ' A' ' 32' ' ' PRO . 96.8 mt -84.67 -65.32 1.02 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.731 0.644 . . . . 0.0 110.166 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -65.89 -23.73 66.7 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -168.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -97.06 -70.96 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.804 0.442 . . . . 0.0 110.381 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.86 -62.74 1.58 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.119 0.567 . . . . 0.0 111.549 -169.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.511 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 7.7 m170 -86.93 43.46 1.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.531 1.132 . . . . 0.0 111.505 -176.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.73 1.98 24.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.804 1.242 . . . . 0.0 111.63 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -20.93 60.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.862 0.865 . . . . 0.0 111.483 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -102.96 -26.92 12.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.156 0.582 . . . . 0.0 111.832 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 24.5 m -101.21 115.42 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.208 0.528 . . . . 0.0 109.747 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -92.21 102.46 6.43 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 124.542 1.137 . . . . 0.0 110.197 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.2 Cg_exo -78.05 120.34 4.97 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.604 2.203 . . . . 0.0 111.091 177.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -57.23 104.51 0.17 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 172.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.69 -31.37 6.71 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -154.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -73.7 -19.15 60.9 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 122.938 0.495 . . . . 0.0 111.56 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.545 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.1 p -132.23 159.76 70.85 Favored Pre-proline 0 N--CA 1.482 1.14 0 C-N-CA 124.623 1.169 . . . . 0.0 110.562 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.86 9.1 3.41 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.539 2.159 . . . . 0.0 113.836 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.56 5.72 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.72 0.808 . . . . 0.0 110.46 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 20.5 p -91.57 146.29 23.91 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.611 0.764 . . . . 0.0 111.061 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.22 120.56 19.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.337 1.055 . . . . 0.0 108.796 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -66.6 -14.04 61.87 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.256 0.622 . . . . 0.0 111.252 -172.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -123.38 142.2 51.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 110.223 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 43.0 p -66.69 -29.01 2.49 Favored Pre-proline 0 CA--C 1.57 1.734 0 CA-C-O 118.299 -0.857 . . . . 0.0 113.165 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -47.95 -47.57 18.64 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 122.176 1.917 . . . . 0.0 113.594 160.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.51 93.24 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 116.594 -0.275 . . . . 0.0 112.608 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 59' ' ' CYS . 22.8 tp -50.8 -56.61 11.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.043 1.337 . . . . 0.0 111.331 175.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 t -71.95 -32.16 67.03 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.148 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -70.2 -20.66 63.09 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.0 t-80 -75.08 -35.05 61.84 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.509 1.05 . . . . 0.0 108.882 170.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.0 mt -73.04 -20.45 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 C-N-CA 123.735 0.814 . . . . 0.0 110.123 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.49 -41.73 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.572 -0.705 . . . . 0.0 110.811 173.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -91.8 -62.66 1.38 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.982 0.513 . . . . 0.0 112.222 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.08 20.68 12.63 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.871 0.869 . . . . 0.0 112.279 -167.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.545 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 1.7 m170 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.582 1.153 . . . . 0.0 109.315 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -156.61 131.41 8.94 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.222 1.009 . . . . 0.0 108.909 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.15 143.21 31.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.551 0.74 . . . . 0.0 109.596 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.7 t -62.36 117.36 29.78 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.242 0.617 . . . . 0.0 109.634 170.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD2' HD21 ' A' ' 48' ' ' LEU . 72.8 Cg_exo -46.65 -27.28 5.2 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 124.207 3.271 . . . . 0.0 116.258 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -94.7 -21.59 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.1 p -147.9 114.12 5.88 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.37 109.91 2.78 Favored Glycine 0 C--N 1.358 1.77 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -161.67 116.79 2.01 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -169.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -77.6 115.4 17.33 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.549 0.531 . . . . 0.0 111.596 -170.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.1 130.09 55.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.46 -25.73 26.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.903 0.481 . . . . 0.0 109.816 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -95.81 132.17 41.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.892 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -64.46 -26.64 68.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.104 0.962 . . . . 0.0 111.401 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.58 -50.42 67.95 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.474 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.78 62.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.581 0.753 . . . . 0.0 111.411 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -56.61 -55.54 32.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.974 0.909 . . . . 0.0 110.712 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.7 -34.36 64.81 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.18 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.19 -27.63 69.49 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.606 0.362 . . . . 0.0 111.042 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.28 -60.25 3.64 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 32' ' ' PRO . 26.1 mt -63.1 -22.68 67.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.712 0.805 . . . . 0.0 112.662 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -84.8 -36.04 21.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.356 1.063 . . . . 0.0 112.081 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.7 mt -125.84 -61.86 1.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.725 -167.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.09 -7.93 57.56 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.667 0.787 . . . . 0.0 112.735 -167.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 40.81 0.35 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.733 1.213 . . . . 0.0 108.957 -173.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -20.47 27.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 113.988 -1.46 . . . . 0.0 113.006 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.34 -14.62 61.33 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.94 0.496 . . . . 0.0 112.204 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -101.11 -6.95 23.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.272 0.629 . . . . 0.0 111.604 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.53 145.19 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.002 0.521 . . . . 0.0 109.826 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB3' HD23 ' A' ' 72' ' ' LEU . 97.6 m-85 -125.84 96.82 36.92 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.769 0.828 . . . . 0.0 110.881 -173.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.576 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.1 Cg_endo -77.14 124.86 7.51 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 122.714 2.276 . . . . 0.0 112.135 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.7 t -66.93 101.75 0.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -50.27 -43.02 53.16 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.471 1.509 . . . . 0.0 114.868 -155.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -79.75 -13.01 59.75 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.932 -165.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 p -133.56 145.25 55.56 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.717 0.807 . . . . 0.0 109.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.8 89.53 0.29 Allowed 'Trans proline' 0 CA--C 1.557 1.632 0 C-N-CA 121.685 1.59 . . . . 0.0 111.776 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.67 103.58 1.92 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.961 0.905 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 86.1 m -94.93 137.44 33.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.185 0.594 . . . . 0.0 111.183 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -113.29 167.3 10.67 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.213 1.005 . . . . 0.0 109.797 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.1 20.74 16.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.758 0.823 . . . . 0.0 109.81 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -160.32 140.86 11.77 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.221 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.415 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 32.2 t -68.75 -39.37 14.19 Favored Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 123.98 0.912 . . . . 0.0 112.865 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 69' ' ' SER . 23.8 Cg_endo -61.68 -33.57 85.82 Favored 'Trans proline' 0 C--N 1.393 2.911 0 CA-C-N 121.287 1.495 . . . . 0.0 111.382 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.491 ' HA2' ' HE ' ' A' ' 74' ' ' ARG . . . -63.44 -40.76 99.19 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 123.421 0.451 . . . . 0.0 112.551 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 57' ' ' PHE . 57.3 tp -54.85 -50.93 67.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.366 1.066 . . . . 0.0 110.415 172.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.0 m -61.99 -38.79 89.93 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.326 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HE ' ' HA2' ' A' ' 71' ' ' GLY . 50.2 mtm180 -65.97 -23.23 66.55 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.43 -53.79 11.21 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -53.72 -36.81 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.186 1.394 . . . . 0.0 112.069 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.58 -53.74 5.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.259 0.623 . . . . 0.0 112.033 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -90.83 -62.9 1.35 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -171.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.2 t -100.22 12.14 37.73 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.329 0.652 . . . . 0.0 111.818 -164.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 CA--C 1.561 1.376 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.747 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 78.9 m . . . . . 0 C--O 1.242 0.707 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.26 117.0 7.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.566 0.542 . . . . 0.0 109.694 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -103.8 120.83 41.78 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 30.6 t -58.16 106.65 0.73 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.164 0.986 . . . . 0.0 108.749 171.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.5 Cg_exo -46.37 -26.61 4.16 Favored 'Trans proline' 0 C--N 1.388 2.608 0 C-N-CA 124.143 3.228 . . . . 0.0 115.742 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 t -92.72 -19.96 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 C-N-CA 123.579 0.751 . . . . 0.0 111.456 -173.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -150.86 122.08 7.78 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.106 0.562 . . . . 0.0 109.641 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 112.84 5.21 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -164.99 129.38 2.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.767 0.827 . . . . 0.0 109.018 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 p -83.52 132.24 34.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 111.256 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.14 128.08 37.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.987 0.915 . . . . 0.0 109.307 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.8 -22.73 19.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -90.07 123.89 34.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.212 1.005 . . . . 0.0 109.486 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 64.3 tttp -60.27 -46.06 91.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.66 0.784 . . . . 0.0 111.527 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.22 65.88 Favored Glycine 0 C--N 1.343 0.961 0 O-C-N 123.912 0.757 . . . . 0.0 113.982 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.65 80.61 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.581 0.752 . . . . 0.0 110.969 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.68 -43.92 83.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.94 0.896 . . . . 0.0 111.034 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 28.8 mm-40 -63.55 -55.74 21.43 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.737 0.815 . . . . 0.0 110.228 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -65.08 -24.63 67.51 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 123.88 0.737 . . . . 0.0 111.694 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -67.49 -44.28 78.87 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.055 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 32' ' ' PRO . 69.5 mt -77.53 -63.48 1.37 Allowed 'General case' 0 C--O 1.212 -0.883 0 O-C-N 123.221 0.326 . . . . 0.0 111.416 -177.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 2.4 ptm180 -64.48 -20.19 66.03 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -172.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.525 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 mt -114.32 -66.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.74 0.416 . . . . 0.0 110.727 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.91 -27.16 57.56 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.528 0.731 . . . . 0.0 112.597 -168.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -138.95 44.0 2.05 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.187 0.995 . . . . 0.0 109.939 -169.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -81.76 3.05 27.2 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.964 -1.471 . . . . 0.0 112.69 -176.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.07 -46.11 82.53 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.312 0.645 . . . . 0.0 111.25 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.64 -42.51 11.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.064 0.546 . . . . 0.0 111.572 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -79.92 169.03 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.92 0.391 . . . . 0.0 110.557 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 93.1 m-85 -129.25 83.68 64.78 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.945 0.898 . . . . 0.0 110.252 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.5 Cg_exo -73.86 119.2 5.76 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 123.15 2.567 . . . . 0.0 111.575 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.4 t -63.61 102.14 0.41 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -51.75 -41.38 61.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -149.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 22.3 m-85 -81.67 -7.08 59.55 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.369 0.531 . . . . 0.0 111.251 -171.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 20.2 p -132.5 149.54 73.36 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.606 0.762 . . . . 0.0 109.548 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.72 1.24 3.94 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.844 2.363 . . . . 0.0 114.567 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.527 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . . . -63.14 104.17 0.55 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.594 0.758 . . . . 0.0 110.445 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 28.8 m -105.88 137.71 43.3 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.04 0.936 . . . . 0.0 110.566 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.26 168.48 9.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.283 1.033 . . . . 0.0 109.547 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' HD1' HG13 ' A' ' 56' ' ' VAL . 17.8 t80 -115.24 8.53 15.53 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.153 0.581 . . . . 0.0 109.593 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -142.56 142.82 32.24 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 123.523 0.729 . . . . 0.0 109.904 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 14.7 m -66.67 -42.0 42.43 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 124.609 1.164 . . . . 0.0 112.786 -176.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.1 -34.56 94.4 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 121.654 1.569 . . . . 0.0 112.317 170.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -41.9 98.73 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 123.394 0.434 . . . . 0.0 112.589 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' A' ' 69' ' ' SER . 52.6 tp -51.22 -47.76 62.23 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.845 1.258 . . . . 0.0 111.262 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -74.09 -31.36 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.624 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -66.75 -28.74 68.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.89 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 14.6 t-80 -68.93 -34.22 75.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.817 0.735 . . . . 0.0 110.199 176.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.679 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 57.0 mt -63.89 -54.69 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 124.305 1.003 . . . . 0.0 109.7 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -67.6 -25.5 65.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.575 0.75 . . . . 0.0 112.628 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.67 -60.69 1.99 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.165 0.586 . . . . 0.0 111.821 -175.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -149.15 31.93 0.75 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.981 0.512 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.679 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.1 t-160 . . . . . 0 CA--C 1.551 0.983 0 CA-C-O 120.708 0.29 . . . . 0.0 110.974 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.236 0.384 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -148.59 134.74 19.28 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.784 0.833 . . . . 0.0 110.55 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.4 mt -126.98 135.44 50.86 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 174.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 34.6 t -56.87 109.45 1.72 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 118.63 0.65 . . . . 0.0 109.597 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -37.95 -37.91 0.65 Allowed 'Trans proline' 0 C--N 1.392 2.825 1 C-N-CA 125.362 4.041 . . . . 0.0 117.056 -166.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 t -92.45 -22.83 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 C-N-CA 123.12 0.568 . . . . 0.0 112.02 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 21.5 p -133.26 126.91 32.53 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.857 0.463 . . . . 0.0 110.588 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.86 111.28 3.79 Favored Glycine 0 C--N 1.362 1.982 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -160.29 109.2 1.71 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -163.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 m -69.05 116.75 9.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.949 0.9 . . . . 0.0 112.836 -168.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -130.88 160.08 35.51 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 123.9 0.88 . . . . 0.0 109.886 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.74 -55.46 2.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.29 1.036 . . . . 0.0 108.612 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.3 t -75.45 136.18 40.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.949 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.1 ttpt -72.9 -21.97 60.82 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.196 0.31 . . . . 0.0 110.597 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 -33.32 72.55 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -80.93 -23.07 39.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.206 1.002 . . . . 0.0 111.784 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.9 -44.46 63.67 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 0.0 110.112 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 22.7 mm-40 -75.18 -25.69 58.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 10.7 ptp180 -61.12 -40.57 94.3 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 123.325 0.391 . . . . 0.0 110.31 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t-80 -68.66 -36.37 78.48 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 95.9 mt -67.16 -39.89 86.58 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.083 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -85.45 -19.23 31.6 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 178.245 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 82.4 mt -93.18 -81.45 0.36 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.69 0.396 . . . . 0.0 111.521 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 47' ' ' HIS . 80.3 mt -89.47 -47.86 7.71 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.554 . . . . 0.0 110.887 -168.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.61 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.4 m170 -83.08 39.72 0.66 Allowed 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.522 1.129 . . . . 0.0 111.195 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 48' ' ' LEU . . . -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.132 1.373 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.51 -20.26 64.57 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.261 0.624 . . . . 0.0 111.096 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -85.27 -11.3 55.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.658 0.783 . . . . 0.0 112.23 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.9 163.07 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 120.929 0.395 . . . . 0.0 110.164 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -131.18 83.32 60.51 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.618 1.167 . . . . 0.0 108.859 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.11 124.95 6.24 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.616 2.21 . . . . 0.0 112.118 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 15.4 t -66.26 102.98 0.91 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.85 -39.42 53.56 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.178 1.791 . . . . 0.0 114.841 -154.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.38 -9.1 59.14 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.545 0.738 . . . . 0.0 112.032 -170.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.519 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.4 p -132.79 150.82 76.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.015 0.926 . . . . 0.0 110.457 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.23 80.69 2.63 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.197 1.931 . . . . 0.0 111.282 173.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.59 106.05 3.52 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.267 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 p -91.88 136.2 33.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.446 0.641 . . . . 0.0 110.983 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -119.29 149.1 42.35 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.859 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -97.08 13.11 30.25 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 122.177 -0.327 . . . . 0.0 110.673 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 m -139.92 136.89 34.34 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.97 0.908 . . . . 0.0 109.678 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.7 p -71.01 -34.58 3.55 Favored Pre-proline 0 CA--C 1.568 1.662 0 C-N-CA 123.729 0.811 . . . . 0.0 112.512 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 -36.21 78.08 Favored 'Trans proline' 0 C--N 1.395 3.021 0 CA-C-N 121.358 1.521 . . . . 0.0 111.825 165.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.05 88.3 Favored Glycine 0 C--N 1.36 1.89 0 O-C-N 123.649 0.593 . . . . 0.0 112.664 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.67 -49.84 76.16 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.474 1.11 . . . . 0.0 109.887 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.42 ' HA ' HD11 ' A' ' 76' ' ' ILE . 17.8 m -69.31 -24.11 63.89 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.766 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -62.17 -50.84 70.25 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.616 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.483 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 6.2 t-80 -69.97 -21.22 63.26 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 117.89 0.314 . . . . 0.0 111.13 -177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 73' ' ' THR . 81.6 mt -66.74 -65.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.432 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -66.18 -13.52 60.37 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.547 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 85.0 tttt -91.9 -61.23 1.67 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.867 0.867 . . . . 0.0 111.233 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.547 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 75.4 m -138.41 11.21 2.76 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -167.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 6.1 m80 . . . . . 0 N--CA 1.492 1.644 0 C-N-CA 123.202 0.601 . . . . 0.0 111.034 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -140.41 141.1 35.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.08 0.952 . . . . 0.0 110.02 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 71.7 mt -134.9 138.62 44.28 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HA ' HE22 ' A' ' 44' ' ' GLN . 53.1 t -58.47 109.96 2.24 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 173.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HD2' HD22 ' A' ' 48' ' ' LEU . 83.6 Cg_exo -48.89 -35.25 30.87 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 123.758 2.972 . . . . 0.0 115.039 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.9 -31.0 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.553 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 14.3 p -142.61 112.07 6.7 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.18 112.16 2.44 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.059 0.225 . . . . 0.0 112.777 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 9.0 tp10 -147.16 122.64 10.39 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -70.73 120.42 16.3 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.399 0.68 . . . . 0.0 112.517 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.79 145.97 45.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.555 1.142 . . . . 0.0 109.908 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.31 -46.13 4.49 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.822 -0.806 . . . . 0.0 108.822 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -65.73 132.19 48.15 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.166 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 62.4 pttt -71.18 -24.94 62.33 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.152 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -38.18 74.43 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.376 0.423 . . . . 0.0 112.217 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.25 63.52 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.379 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.479 HE22 ' HA ' ' A' ' 31' ' ' CYS . 16.7 tp60 -59.05 -51.43 70.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.844 0.857 . . . . 0.0 110.658 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 9.0 mm-40 -76.01 -17.54 59.64 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.723 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -60.13 -52.34 65.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.558 0.743 . . . . 0.0 111.902 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -68.6 -31.14 70.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.568 HD22 ' HD2' ' A' ' 32' ' ' PRO . 59.0 mt -70.01 -37.81 75.77 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.27 -26.58 33.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.869 0.304 . . . . 0.0 110.718 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -96.94 -82.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.821 0.448 . . . . 0.0 111.682 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.94 2.11 56.18 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -166.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.553 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.1 m170 -138.69 37.65 2.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.883 0.849 . . . . 0.0 109.784 173.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.548 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -69.3 -14.2 62.81 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.146 177.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.19 64.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.443 1.097 . . . . 0.0 112.702 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -108.94 -14.75 14.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.85 0.46 . . . . 0.0 112.169 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 53' ' ' ALA . 32.0 m -98.45 149.53 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 72' ' ' LEU . 94.0 m-85 -133.4 83.91 48.17 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 123.963 0.905 . . . . 0.0 109.3 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 57.6 Cg_endo -70.35 124.12 10.54 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.549 2.166 . . . . 0.0 111.733 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.5 t -56.18 114.09 1.82 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -45.58 -34.21 3.24 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.055 1.342 . . . . 0.0 114.571 -164.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.26 -28.12 14.21 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.155 0.582 . . . . 0.0 112.295 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.8 p -133.85 138.41 30.77 Favored Pre-proline 0 N--CA 1.491 1.59 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -62.81 9.68 0.1 Allowed 'Trans proline' 0 N--CA 1.51 2.473 0 C-N-CA 123.938 3.092 . . . . 0.0 116.074 -172.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.91 97.39 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.636 0.774 . . . . 0.0 110.311 167.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.3 m -95.41 111.72 23.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.174 0.589 . . . . 0.0 110.591 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -94.79 123.35 38.19 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 110.146 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -82.16 47.86 1.18 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.1 p -158.6 136.29 10.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.16 0.584 . . . . 0.0 110.08 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 m -60.71 -47.37 96.12 Favored Pre-proline 0 CA--C 1.563 1.473 0 C-N-CA 123.601 0.76 . . . . 0.0 112.096 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.56 -40.05 19.35 Favored 'Trans proline' 0 C--N 1.387 2.603 0 CA-C-N 121.24 1.478 . . . . 0.0 112.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.74 -36.28 71.44 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.489 0.493 . . . . 0.0 114.149 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 57' ' ' PHE . 55.7 tp -58.89 -52.81 64.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.777 0.831 . . . . 0.0 110.351 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 m -65.33 -33.88 77.01 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.268 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.01 -39.65 90.42 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.484 0.714 . . . . 0.0 112.07 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -69.24 -57.52 5.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.5 mt -56.56 -35.22 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 124.215 1.006 . . . . 0.0 112.877 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -87.35 -48.19 8.19 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -92.57 -61.88 1.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -171.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 45.8 t -92.64 1.28 57.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.29 0.636 . . . . 0.0 111.954 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 . . . . . 0 CA--C 1.563 1.469 0 C-N-CA 123.262 0.625 . . . . 0.0 109.62 -177.082 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.859 0.361 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.49 138.15 34.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.154 0.982 . . . . 0.0 109.774 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.0 mt -133.09 140.8 47.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.617 0.767 . . . . 0.0 109.986 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.6 t -80.99 100.51 0.7 Allowed Pre-proline 0 N--CA 1.479 0.989 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 166.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD2' HD23 ' A' ' 48' ' ' LEU . 24.4 Cg_endo -56.43 -19.54 29.33 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.366 2.711 . . . . 0.0 114.79 -169.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 t -82.03 -27.34 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 123.363 0.665 . . . . 0.0 111.453 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.6 129.22 20.3 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.015 0.526 . . . . 0.0 110.338 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 109.64 2.65 Favored Glycine 0 C--N 1.353 1.508 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -164.91 119.41 1.32 Allowed 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.059 0.943 . . . . 0.0 109.103 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.5 p -79.69 143.01 34.98 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.584 0.754 . . . . 0.0 110.704 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.98 131.72 27.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.508 1.123 . . . . 0.0 109.43 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.05 15.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -81.93 157.05 24.45 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.084 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -74.18 -54.45 7.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.889 0.876 . . . . 0.0 110.027 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.37 -28.76 67.7 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 124.248 0.968 . . . . 0.0 113.556 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.53 88.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.648 0.779 . . . . 0.0 111.078 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -65.77 -50.19 65.64 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.31 0.644 . . . . 0.0 110.316 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.533 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -30.05 63.15 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.435 0.459 . . . . 0.0 110.864 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -70.04 -21.36 63.19 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.579 178.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD23 ' HD2' ' A' ' 32' ' ' PRO . 97.9 mt -87.53 -65.46 1.01 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.657 0.783 . . . . 0.0 110.919 171.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -53.6 -43.58 68.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.439 1.495 . . . . 0.0 111.445 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.56 -70.36 0.58 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.758 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.7 -68.78 0.65 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.03 0.532 . . . . 0.0 112.014 -167.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -90.8 61.33 4.72 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.504 1.122 . . . . 0.0 111.383 -171.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -96.76 1.27 50.65 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.423 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -21.19 55.77 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.847 0.459 . . . . 0.0 111.578 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -109.61 -10.95 14.82 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.13 0.572 . . . . 0.0 111.869 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.602 HG22 ' HA ' ' A' ' 53' ' ' ALA . 20.2 m -111.18 155.64 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 121.246 0.545 . . . . 0.0 109.724 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.12 84.58 47.77 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 109.556 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 65.6 Cg_endo -73.34 116.03 4.55 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.364 2.042 . . . . 0.0 111.339 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 37.9 t -60.14 102.54 0.17 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -40.02 -50.23 2.55 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -151.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -84.39 -10.66 57.35 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 -164.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 15.6 p -131.36 161.6 61.02 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.192 0.997 . . . . 0.0 109.509 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -77.5 -0.27 10.46 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.338 2.025 . . . . 0.0 114.005 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . . . -64.66 97.98 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.955 0.902 . . . . 0.0 110.728 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.0 m -103.03 139.38 38.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.806 0.842 . . . . 0.0 110.034 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -126.28 149.59 49.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.089 0.956 . . . . 0.0 109.578 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -91.52 18.03 7.88 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.987 0.515 . . . . 0.0 110.835 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' A' ' 70' ' ' PRO . 50.2 m -147.78 136.43 21.79 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.841 0.856 . . . . 0.0 109.762 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 22.9 t -67.52 -35.59 8.56 Favored Pre-proline 0 CA--C 1.566 1.566 0 C-N-CA 123.911 0.885 . . . . 0.0 112.144 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HG2' ' HB3' ' A' ' 68' ' ' SER . 7.2 Cg_endo -51.59 -52.84 8.14 Favored 'Trans proline' 0 C--N 1.403 3.431 0 C-N-CA 122.182 1.921 . . . . 0.0 111.693 165.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.37 -35.76 89.33 Favored Glycine 0 C--N 1.358 1.759 0 O-C-N 123.883 0.739 . . . . 0.0 113.67 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 tp -54.09 -55.32 28.63 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -75.01 -24.69 58.43 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.831 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -61.28 -38.72 87.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.982 0.513 . . . . 0.0 111.444 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.8 t-80 -65.24 -38.83 91.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.1 mt -58.94 -62.96 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.359 1.064 . . . . 0.0 111.024 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -67.54 -32.15 72.73 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.673 0.789 . . . . 0.0 112.747 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.669 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 34.8 ttpt -90.19 -59.59 2.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.324 0.649 . . . . 0.0 111.978 -172.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.669 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 80.6 m -142.21 42.95 1.66 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 4.0 t60 . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -94.18 115.09 27.32 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.32 137.17 40.92 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.823 0.449 . . . . 0.0 110.3 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 20.2 t -55.53 108.59 1.22 Allowed Pre-proline 0 N--CA 1.483 1.177 0 C-N-CA 123.736 0.814 . . . . 0.0 108.822 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' HD13 ' A' ' 48' ' ' LEU . 20.4 Cg_endo -57.09 -3.16 0.65 Allowed 'Trans proline' 0 N--CA 1.506 2.213 0 C-N-CA 123.943 3.095 . . . . 0.0 116.886 -166.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.46 -13.82 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-N 118.293 0.497 . . . . 0.0 111.493 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 28.0 p -144.07 125.62 14.93 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.595 0.758 . . . . 0.0 109.874 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.81 2.13 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -170.91 97.6 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -164.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 p -77.09 136.51 38.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.651 0.78 . . . . 0.0 112.618 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -131.76 148.59 52.58 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.259 1.024 . . . . 0.0 109.399 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.96 -29.85 62.21 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.229 0.612 . . . . 0.0 110.931 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -117.57 156.66 27.71 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.807 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.34 -22.68 47.66 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.99 -41.67 99.68 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 121.239 0.355 . . . . 0.0 112.662 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.77 -18.59 59.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.772 0.829 . . . . 0.0 111.142 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -78.96 -51.01 10.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.437 0.695 . . . . 0.0 110.749 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 48' ' ' LEU . 23.3 mm-40 -68.91 -23.32 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.949 -173.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -39.03 76.43 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.117 0.261 . . . . 0.0 110.886 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 5.5 t-80 -66.46 -26.03 67.0 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.441 0.639 . . . . 0.0 109.829 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 45' ' ' GLU . 71.0 mt -74.46 -65.6 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.48 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -19.45 63.04 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.13 -76.06 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.564 0.346 . . . . 0.0 110.683 171.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.0 mt -100.79 -52.93 3.19 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.042 0.537 . . . . 0.0 111.816 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.544 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 31.3 m170 -87.25 47.61 1.53 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.293 1.037 . . . . 0.0 112.501 -169.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.538 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -91.16 4.14 52.99 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.79 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.33 71.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.37 0.268 . . . . 0.0 111.32 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -82.18 -29.25 31.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.874 0.469 . . . . 0.0 111.826 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 53' ' ' ALA . 32.1 m -103.82 159.02 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.611 0.719 . . . . 0.0 112.24 -176.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.545 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 92.4 m-85 -132.68 85.33 47.65 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.282 1.033 . . . . 0.0 109.779 -172.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.93 117.41 4.91 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.591 2.194 . . . . 0.0 112.532 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.91 99.07 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 165.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.518 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 7.7 mtmp? -62.89 -26.45 68.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -151.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.45 -23.31 65.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.715 0.806 . . . . 0.0 111.187 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.424 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.0 p -124.42 137.79 29.85 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.395 1.078 . . . . 0.0 108.963 175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.65 76.87 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 122.345 2.03 . . . . 0.0 111.486 171.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.08 107.33 4.04 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.113 0.965 . . . . 0.0 109.657 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 p -93.01 140.73 29.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.659 0.742 . . . . 0.0 111.598 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.03 168.46 9.41 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.308 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -116.86 6.32 13.1 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.297 0.57 . . . . 0.0 109.926 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.8 p -133.33 139.25 46.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.312 1.045 . . . . 0.0 110.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 15.8 m -62.59 -39.99 60.37 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.453 176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' SER . 13.5 Cg_endo -56.25 -45.6 36.7 Favored 'Trans proline' 0 C--N 1.407 3.606 0 C-N-CA 122.572 2.181 . . . . 0.0 112.028 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.09 -38.5 93.14 Favored Glycine 0 C--N 1.357 1.743 0 O-C-N 123.452 0.47 . . . . 0.0 113.268 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.0 tp -54.94 -55.91 25.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.367 1.067 . . . . 0.0 110.867 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -68.45 -26.02 65.29 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.527 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -72.11 -39.03 69.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.122 0.569 . . . . 0.0 111.479 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.99 -22.34 60.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.29 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.58 -66.98 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -45.4 -41.89 9.66 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.679 1.191 . . . . 0.0 113.326 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -92.62 -60.01 1.93 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.975 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -101.7 -15.72 16.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -161.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.424 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 5.8 m80 . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.717 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -82.87 116.25 22.1 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -118.11 127.64 53.97 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 13.7 t -55.51 107.43 0.88 Allowed Pre-proline 0 N--CA 1.484 1.234 0 O-C-N 124.141 0.901 . . . . 0.0 109.232 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HD2' HD23 ' A' ' 48' ' ' LEU . 65.2 Cg_exo -46.46 -26.85 4.48 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.772 2.981 . . . . 0.0 116.014 -174.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 55' ' ' GLN . 6.6 t -84.78 -21.19 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.427 0 C-N-CA 123.046 0.538 . . . . 0.0 111.641 -177.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.489 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 19.9 p -152.0 119.02 5.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.466 0.706 . . . . 0.0 109.551 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.94 2.21 Favored Glycine 0 C--N 1.363 2.048 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 121.74 6.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -167.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -66.61 122.73 18.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.294 0.996 . . . . 0.0 111.968 -170.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -136.8 136.9 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 0.0 108.812 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.67 23.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.326 0.65 . . . . 0.0 110.457 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -99.92 152.37 20.24 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.016 0.927 . . . . 0.0 111.538 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.82 -51.17 35.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.016 0.926 . . . . 0.0 110.592 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.89 -21.63 67.76 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.266 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.83 70.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.364 0.666 . . . . 0.0 110.729 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.52 -48.47 72.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.237 170.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.3 -27.92 66.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.463 -173.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -69.93 -32.47 70.76 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 118.17 0.441 . . . . 0.0 110.513 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -69.36 -39.42 78.1 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.326 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 32' ' ' PRO . 92.4 mt -70.38 -38.4 74.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.076 0.95 . . . . 0.0 112.068 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -39.29 23.89 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.098 0.559 . . . . 0.0 110.65 -172.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.2 -59.02 1.8 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.59 0.756 . . . . 0.0 111.574 -172.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.53 -7.55 25.77 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -165.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.489 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -147.88 37.1 0.87 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.984 -175.309 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.18 85.95 3.64 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.058 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.2 -56.33 0.09 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.689 0.796 . . . . 0.0 109.988 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 33' ' ' VAL . 84.7 mm-40 -90.79 -0.73 57.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.994 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' ' 48' ' ' LEU . 32.2 m -109.44 145.81 15.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.607 0.763 . . . . 0.0 109.68 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.491 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 88.5 m-85 -133.16 82.52 53.67 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 124.22 1.008 . . . . 0.0 110.181 -172.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 80.3 Cg_endo -78.32 116.3 3.86 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.8 2.333 . . . . 0.0 111.766 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.5 t -57.84 109.58 0.75 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -32.44 -46.65 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -159.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -84.85 -8.63 58.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.506 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 28.1 p -133.52 153.13 80.19 Favored Pre-proline 0 N--CA 1.482 1.169 0 C-N-CA 123.154 0.582 . . . . 0.0 110.449 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.57 9.05 2.36 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.798 2.332 . . . . 0.0 113.341 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -61.63 93.66 0.04 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.875 0.87 . . . . 0.0 109.682 171.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.7 m -92.14 113.41 25.67 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.191 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.47 167.25 12.74 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.107 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -121.8 25.45 9.2 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -144.12 135.73 25.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.498 1.119 . . . . 0.0 108.844 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -64.61 -41.18 55.82 Favored Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 124.032 0.933 . . . . 0.0 111.864 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.76 -51.56 10.84 Favored 'Trans proline' 0 C--N 1.405 3.509 0 C-N-CA 122.367 2.044 . . . . 0.0 111.789 167.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.32 87.93 Favored Glycine 0 C--N 1.359 1.859 0 O-C-N 123.71 0.631 . . . . 0.0 113.554 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.9 tp -54.12 -57.07 12.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.603 1.161 . . . . 0.0 110.903 173.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -72.89 -22.85 60.69 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.171 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.85 -51.66 66.14 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.021 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 t-80 -66.68 -21.95 66.09 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 118.222 0.465 . . . . 0.0 110.698 -176.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.9 mt -70.77 -57.35 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.042 0.937 . . . . 0.0 110.626 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -71.34 -16.57 62.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.981 0.512 . . . . 0.0 111.31 -176.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -90.23 -51.15 5.59 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.161 0.985 . . . . 0.0 110.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.9 t -147.08 4.18 0.82 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.506 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 3.4 m170 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 119.181 0.9 . . . . 0.0 112.441 -178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.209 0.077 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -73.22 119.51 17.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.32 0.581 . . . . 0.0 110.631 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.1 145.47 28.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.149 0.98 . . . . 0.0 109.075 -174.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.2 t -56.04 101.47 0.26 Allowed Pre-proline 0 N--CA 1.485 1.302 0 O-C-N 123.908 0.755 . . . . 0.0 109.255 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' HD11 ' A' ' 48' ' ' LEU . 40.5 Cg_endo -62.05 -1.62 2.4 Favored 'Trans proline' 0 C--N 1.375 1.921 0 C-N-CA 123.79 2.993 . . . . 0.0 116.759 -159.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 20.8 t -103.27 -31.38 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 CA-C-N 118.588 0.631 . . . . 0.0 111.23 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.2 p -125.28 131.36 53.1 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 122.985 0.514 . . . . 0.0 110.037 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.19 110.46 2.71 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -175.81 93.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -164.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 p -76.81 140.51 40.72 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.04 0.936 . . . . 0.0 112.725 -172.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -138.04 136.33 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.456 1.102 . . . . 0.0 110.512 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.97 -33.47 33.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.793 0.837 . . . . 0.0 110.226 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.4 t -91.29 140.06 30.15 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.54 0.736 . . . . 0.0 110.194 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -61.74 -48.29 81.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.658 0.783 . . . . 0.0 110.243 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.75 77.36 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.97 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.31 68.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.238 0.615 . . . . 0.0 111.104 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -70.65 -48.82 53.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.962 0.505 . . . . 0.0 110.233 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.09 -38.69 89.78 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.712 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -68.59 -26.55 65.43 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.533 0.52 . . . . 0.0 111.782 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.463 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.8 t-80 -68.91 -50.13 52.18 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD11 ' HD2' ' A' ' 32' ' ' PRO . 97.1 mt -59.98 -34.11 72.85 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.996 0.918 . . . . 0.0 112.168 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -80.31 -38.06 31.44 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.808 0.843 . . . . 0.0 109.575 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.52 -71.36 0.76 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.299 0.64 . . . . 0.0 111.418 -171.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -89.9 0.54 57.0 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.285 0.634 . . . . 0.0 112.28 -166.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.517 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -140.32 26.9 2.15 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.116 0.966 . . . . 0.0 108.935 -179.392 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.14 81.57 1.28 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.218 1.007 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.24 -46.91 0.07 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.694 0.798 . . . . 0.0 110.113 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -89.14 0.85 56.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.416 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 48' ' ' LEU . 28.4 m -105.79 150.22 8.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 123.375 0.67 . . . . 0.0 110.795 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.602 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.9 m-85 -129.93 88.72 47.99 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.102 1.361 . . . . 0.0 109.46 -177.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 86.1 Cg_endo -79.58 131.84 9.6 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.18 2.586 . . . . 0.0 113.232 -178.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.0 t -69.97 107.37 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -56.08 -27.58 54.18 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.605 1.562 . . . . 0.0 114.117 -162.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.01 -19.49 31.94 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.291 0.636 . . . . 0.0 112.021 -170.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.551 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.0 p -132.51 157.46 78.24 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.85 0.86 . . . . 0.0 109.805 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.51 67.53 7.79 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.362 2.041 . . . . 0.0 111.365 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.81 94.7 3.79 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.419 1.088 . . . . 0.0 108.737 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 38.6 m -92.34 111.57 23.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.531 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.03 151.7 21.53 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -89.16 -10.99 45.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.106 0.562 . . . . 0.0 110.33 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -130.86 145.93 52.14 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.591 0.756 . . . . 0.0 110.578 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.7 p -69.2 -30.68 2.33 Favored Pre-proline 0 CA--C 1.571 1.767 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.98 -51.83 9.38 Favored 'Trans proline' 0 C--N 1.402 3.374 0 CA-C-N 122.083 1.78 . . . . 0.0 111.993 170.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.89 -31.5 72.29 Favored Glycine 0 C--N 1.359 1.852 0 O-C-N 123.98 0.8 . . . . 0.0 113.509 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -56.75 -57.6 11.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.829 0.852 . . . . 0.0 110.479 172.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -68.02 -30.35 69.57 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.117 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.58 -37.22 79.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.436 0.694 . . . . 0.0 111.073 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.1 t-80 -69.37 -26.45 64.67 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.076 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.41 -64.07 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -55.88 -35.22 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.09 0.956 . . . . 0.0 112.65 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -93.47 -60.57 1.74 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.439 0.696 . . . . 0.0 112.343 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.0 t -118.61 9.05 12.1 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -161.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.551 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.597 0.759 . . . . 0.0 111.237 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 18.8 m . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -71.68 128.51 36.03 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.046 0.45 . . . . 0.0 111.345 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.7 mt -90.23 141.74 28.41 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.958 0.903 . . . . 0.0 110.866 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -65.93 111.87 7.5 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 166.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HD2' HD21 ' A' ' 48' ' ' LEU . 89.4 Cg_endo -72.8 26.3 0.29 Allowed 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 123.067 2.511 . . . . 0.0 114.939 -169.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.12 -16.78 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 C-N-CA 124.138 0.975 . . . . 0.0 110.138 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.707 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 31.1 p -147.12 141.05 25.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.287 0.635 . . . . 0.0 111.131 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.74 109.65 2.9 Favored Glycine 0 C--N 1.357 1.729 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -177.27 108.18 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -162.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.418 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 7.4 t -102.49 136.34 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.52 0.728 . . . . 0.0 111.184 -169.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.77 136.46 42.62 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.567 1.147 . . . . 0.0 110.154 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.46 75.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.849 0.86 . . . . 0.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 m -103.29 126.67 50.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -69.97 -16.03 63.13 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.327 0.651 . . . . 0.0 111.841 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -36.72 90.4 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.03 -21.27 60.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.784 0.833 . . . . 0.0 111.085 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.44 -42.19 17.24 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.154 0.982 . . . . 0.0 110.459 177.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -69.63 -33.31 72.45 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.452 1.101 . . . . 0.0 111.056 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 13.4 ptm180 -65.91 -32.79 74.5 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.7 91.97 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.8 mt -68.34 -51.35 45.47 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.728 0.643 . . . . 0.0 112.135 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 40.0 ptt180 -75.06 -20.81 59.36 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.77 -77.7 0.59 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.83 0.452 . . . . 0.0 110.781 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.32 -3.37 55.22 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.707 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -147.47 34.26 0.87 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.653 0.781 . . . . 0.0 111.613 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 73.31 8.17 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.825 0.85 . . . . 0.0 110.204 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.65 -49.54 0.16 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 110.207 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -85.46 -26.6 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.854 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG13 ' HB3' ' A' ' 48' ' ' LEU . 33.0 m -88.52 143.26 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 122.61 0.364 . . . . 0.0 110.257 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.446 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.0 m-85 -126.5 84.41 62.44 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.326 1.05 . . . . 0.0 109.606 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.4 Cg_endo -73.15 126.66 11.32 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.465 2.11 . . . . 0.0 111.493 177.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' HD11 ' A' ' 72' ' ' LEU . 36.1 t -52.68 103.1 0.06 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.735 0.814 . . . . 0.0 109.298 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -46.07 -30.76 1.99 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -159.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.502 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 49.9 m-85 -84.23 -36.64 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 0.0 111.595 -177.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.82 139.25 31.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 C-N-CA 122.951 0.5 . . . . 0.0 110.681 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -63.14 6.73 0.2 Allowed 'Trans proline' 0 N--CA 1.511 2.52 0 C-N-CA 123.99 3.127 . . . . 0.0 115.791 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.42 103.81 0.12 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.882 0.873 . . . . 0.0 110.521 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 46.5 m -91.89 117.65 29.99 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 111.184 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -99.78 168.91 9.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.354 1.061 . . . . 0.0 109.997 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -123.28 16.39 9.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.137 0.975 . . . . 0.0 109.998 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 m -147.42 145.32 29.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.916 0.886 . . . . 0.0 109.114 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -63.0 -43.83 83.25 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.859 0.863 . . . . 0.0 112.297 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.14 -25.58 72.88 Favored 'Trans proline' 0 C--N 1.393 2.912 0 CA-C-N 121.106 1.431 . . . . 0.0 112.595 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -43.44 85.26 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.517 0.511 . . . . 0.0 112.237 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 59' ' ' CYS . 45.4 tp -58.7 -50.41 74.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.916 1.286 . . . . 0.0 110.586 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -65.6 -47.2 76.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.504 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -61.73 -30.64 70.91 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.855 -167.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.9 t-80 -64.74 -40.65 95.68 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.622 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 53.9 mt -66.72 -35.95 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 124.2 1.0 . . . . 0.0 110.997 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -84.18 -36.68 22.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.899 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 53.3 tttm -91.85 -58.78 2.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.692 0.797 . . . . 0.0 111.566 -169.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 74.6 m -128.56 24.29 5.81 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.465 0.706 . . . . 0.0 112.436 -168.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.8 t-160 . . . . . 0 CA--C 1.56 1.356 0 C-N-CA 122.785 0.434 . . . . 0.0 110.781 173.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -73.73 114.86 12.47 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 45.7 mt -97.7 128.48 44.41 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.035 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 1.6 t -54.21 94.89 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.769 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -24.34 -48.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 1 C-N-CA 126.185 4.59 . . . . 0.0 116.805 -155.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.72 -50.13 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.002 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.95 133.86 49.99 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 122.191 -0.318 . . . . 0.0 110.564 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.95 110.38 3.41 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 172.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -154.46 121.71 5.68 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -79.93 113.38 18.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.224 0.61 . . . . 0.0 110.769 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -120.6 125.55 48.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 108.897 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.51 -36.75 52.23 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -86.28 119.23 26.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.51 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.37 -28.34 68.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.248 0.619 . . . . 0.0 111.312 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -37.26 93.64 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-O 120.985 0.214 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -23.51 61.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.413 0.685 . . . . 0.0 111.303 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.04 -44.61 68.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.792 0.837 . . . . 0.0 110.471 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.94 -40.59 91.51 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.774 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -68.36 -32.96 73.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.095 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.548 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t-80 -66.54 -26.63 67.23 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 120.934 0.397 . . . . 0.0 110.505 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.55 -64.88 0.79 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.193 171.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -59.95 -21.37 61.1 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 123.201 0.6 . . . . 0.0 112.345 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.65 -78.78 0.14 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.696 0.798 . . . . 0.0 111.088 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.05 -45.64 6.18 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.966 0.506 . . . . 0.0 111.83 -172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -92.92 38.35 1.03 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.108 0.956 . . . . 0.0 111.685 -170.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -89.62 5.38 45.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.24 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.89 -39.44 30.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.43 -38.82 23.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.831 0.453 . . . . 0.0 111.368 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -87.2 151.69 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.345 0.403 . . . . 0.0 110.122 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.28 88.45 45.7 Favored Pre-proline 0 N--CA 1.482 1.17 0 C-N-CA 123.966 0.906 . . . . 0.0 109.84 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 146.22 49.27 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.541 2.161 . . . . 0.0 112.338 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' HD1' ' A' ' 61' ' ' TYR . 44.8 t -68.23 103.42 1.57 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 170.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 14.95 0.82 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -162.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.444 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.3 m-85 -114.12 -34.44 5.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.334 1.054 . . . . 0.0 109.065 -172.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -131.98 143.53 49.39 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.502 1.121 . . . . 0.0 108.44 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.58 87.94 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.556 2.17 . . . . 0.0 112.471 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.18 105.32 2.11 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.713 1.205 . . . . 0.0 108.711 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m -91.53 123.86 35.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.288 0.635 . . . . 0.0 110.542 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.62 151.96 24.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -81.15 -21.65 39.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.819 0.448 . . . . 0.0 111.284 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -142.64 159.98 41.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.084 0.554 . . . . 0.0 111.652 -170.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -60.82 -42.17 86.0 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.744 1.218 . . . . 0.0 112.886 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -51.07 -45.82 34.49 Favored 'Trans proline' 0 C--N 1.4 3.248 0 C-N-CA 122.182 1.921 . . . . 0.0 112.778 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.89 94.53 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.427 0.454 . . . . 0.0 112.662 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.37 -52.4 65.51 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.244 1.018 . . . . 0.0 110.176 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m -67.88 -26.93 66.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.93 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -60.73 -41.31 95.08 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 123.242 0.617 . . . . 0.0 111.641 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.76 -46.32 72.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.67 -30.42 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.686 1.194 . . . . 0.0 111.27 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.55 -41.82 13.19 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.329 0.652 . . . . 0.0 112.248 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -90.81 -63.09 1.32 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.269 0.628 . . . . 0.0 112.616 -167.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.11 14.36 14.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.912 0.885 . . . . 0.0 110.773 -166.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.52 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.299 175.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 37.2 m . . . . . 0 CA--C 1.551 0.988 0 CA-C-O 121.005 0.431 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -80.05 118.63 21.94 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.233 0.54 . . . . 0.0 110.768 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 37' ' ' SER . 43.5 mt -90.31 142.22 27.94 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.616 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 t -68.22 104.83 0.76 Allowed Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 163.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD2' HD21 ' A' ' 48' ' ' LEU . 19.6 Cg_endo -54.5 -19.06 16.61 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 C-N-CA 123.674 2.916 . . . . 0.0 115.093 -167.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 52' ' ' HIS . 6.2 t -81.51 -34.78 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 123.514 0.726 . . . . 0.0 111.045 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.67 125.03 21.85 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.652 0.781 . . . . 0.0 109.729 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.81 110.62 2.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -167.66 110.39 0.64 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -170.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . 69.0 m -71.74 141.47 49.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.86 0.864 . . . . 0.0 111.504 -177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -137.83 128.06 26.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.948 0.899 . . . . 0.0 109.599 173.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.55 29.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.273 0.629 . . . . 0.0 110.802 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.4 m -98.8 141.96 30.94 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.576 0.75 . . . . 0.0 110.076 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -62.25 -46.82 87.13 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.09 72.57 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.693 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.45 -30.62 66.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.076 0.55 . . . . 0.0 110.681 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -70.83 -47.77 57.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.083 0.553 . . . . 0.0 109.869 173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.31 -38.38 86.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.916 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -67.4 -36.06 80.53 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.221 0.325 . . . . 0.0 111.143 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.97 -24.78 62.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.3 mt -85.2 -70.56 0.58 Allowed 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.654 0.596 . . . . 0.0 111.373 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.92 -25.3 68.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -169.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.22 -62.75 1.46 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -99.19 -52.08 3.63 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.455 ' HB3' HG22 ' A' ' 33' ' ' VAL . 20.5 m170 -107.63 49.65 0.8 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.585 1.154 . . . . 0.0 110.749 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.53 -11.11 59.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 113.992 -1.458 . . . . 0.0 112.646 -174.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.53 95.48 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.078 0.951 . . . . 0.0 112.766 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.34 -12.37 37.91 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.187 0.595 . . . . 0.0 112.522 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG11 HD13 ' A' ' 48' ' ' LEU . 26.8 m -107.32 170.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 122.78 0.432 . . . . 0.0 110.557 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -130.97 85.86 53.72 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 109.37 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 59.1 Cg_endo -71.25 128.57 14.84 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.255 1.97 . . . . 0.0 111.101 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.523 ' HA ' HD13 ' A' ' 72' ' ' LEU . 40.6 t -51.12 103.2 0.05 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -43.56 -36.49 2.11 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -161.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.1 m-85 -88.6 -26.07 22.12 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.07 136.09 28.29 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.27 -176.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.49 95.1 0.12 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.08 2.52 . . . . 0.0 112.678 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.33 109.16 1.49 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.472 1.109 . . . . 0.0 108.787 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -91.2 135.58 33.68 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.39 0.614 . . . . 0.0 112.055 -174.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -122.5 125.21 45.31 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.755 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.33 8.53 5.94 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.305 0.574 . . . . 0.0 111.088 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -130.66 147.27 52.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.928 0.891 . . . . 0.0 110.447 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 16.4 m -66.2 -43.93 57.12 Favored Pre-proline 0 CA--C 1.572 1.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.86 -38.44 29.91 Favored 'Trans proline' 0 C--N 1.399 3.199 0 CA-C-N 121.743 1.658 . . . . 0.0 112.988 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.0 86.42 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.317 0.385 . . . . 0.0 113.297 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 59' ' ' CYS . 27.3 tp -50.76 -56.87 10.04 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.002 1.321 . . . . 0.0 111.414 174.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -72.1 -35.52 69.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.026 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -68.95 -20.18 64.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.273 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 28.2 t-80 -66.21 -41.44 90.12 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.386 0.994 . . . . 0.0 109.11 173.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 25.8 mt -67.69 -38.84 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.889 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.68 -34.41 58.22 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.49 -61.94 1.75 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.4 t -140.62 11.05 2.27 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -166.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 5.6 t-160 . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 37' ' ' SER . 19.7 m . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -80.34 115.17 19.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 168.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.37 135.72 37.84 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.154 0.581 . . . . 0.0 109.995 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 14.1 t -57.09 106.68 0.72 Allowed Pre-proline 0 N--CA 1.485 1.28 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD2' HD22 ' A' ' 48' ' ' LEU . 39.3 Cg_exo -36.01 -42.25 0.57 Allowed 'Trans proline' 0 C--N 1.382 2.311 1 C-N-CA 125.345 4.03 . . . . 0.0 116.633 -161.004 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.591 HG13 ' HG3' ' A' ' 55' ' ' GLN . 15.9 t -85.68 -31.2 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 C-N-CA 123.193 0.597 . . . . 0.0 112.129 -171.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.644 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.3 p -121.52 134.2 55.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.859 -0.526 . . . . 0.0 110.996 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.36 110.07 3.02 Favored Glycine 0 C--N 1.349 1.277 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 171.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -168.14 111.06 0.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -170.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 39.2 m -83.47 133.56 34.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 -167.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.48 143.77 43.99 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.076 1.35 . . . . 0.0 108.216 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.88 -48.23 13.82 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.174 0.512 . . . . 0.0 109.658 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 m -81.83 136.55 35.38 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.135 0.974 . . . . 0.0 110.512 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -75.72 -22.92 56.12 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.201 0.6 . . . . 0.0 110.883 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.98 -33.8 85.0 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.22 59.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.55 0.74 . . . . 0.0 110.66 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.04 -52.78 63.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.338 0.655 . . . . 0.0 110.586 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -15.78 59.03 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.724 -176.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.31 85.45 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 122.422 0.289 . . . . 0.0 110.545 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.589 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.6 t-80 -71.06 -22.61 62.1 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 117.537 0.153 . . . . 0.0 110.832 -177.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.512 ' HB3' HG22 ' A' ' 56' ' ' VAL . 93.7 mt -67.51 -66.26 0.58 Allowed 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.847 0.717 . . . . 0.0 109.676 175.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -29.52 60.74 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.04 -67.96 0.68 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.606 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.53 -34.93 5.4 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -168.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.644 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -98.4 23.73 8.13 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.581 0.752 . . . . 0.0 111.721 -175.344 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.86 -9.47 59.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.458 1.103 . . . . 0.0 111.195 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.82 -24.88 64.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.571 0.748 . . . . 0.0 110.544 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HG3' HG13 ' A' ' 33' ' ' VAL . 15.3 mm-40 -98.12 -45.81 6.09 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.762 0.825 . . . . 0.0 111.052 -177.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 48' ' ' LEU . 33.5 m -90.33 152.18 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.502 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' HB3' HD23 ' A' ' 72' ' ' LEU . 97.7 m-85 -125.91 85.93 58.53 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.91 0.884 . . . . 0.0 110.681 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 72.3 Cg_endo -74.93 130.09 13.02 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.77 2.314 . . . . 0.0 112.335 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 7.1 t -68.89 101.66 1.41 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -59.38 -20.46 54.96 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 125.1 1.36 . . . . 0.0 114.269 -160.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.37 -22.18 52.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.217 1.007 . . . . 0.0 110.788 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.463 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.5 p -132.53 161.14 65.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.689 1.196 . . . . 0.0 109.724 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.6 21.06 0.58 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.342 2.028 . . . . 0.0 114.417 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.2 101.28 9.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.921 0.888 . . . . 0.0 109.815 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 83.7 m -91.91 114.94 27.62 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.982 178.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.35 156.6 17.64 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -98.56 -7.41 28.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.322 0.649 . . . . 0.0 109.989 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 18.9 m -128.93 145.24 51.28 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.89 0.876 . . . . 0.0 110.973 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -66.04 -33.96 7.9 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.573 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 74.5 Cg_exo -55.78 -45.95 35.24 Favored 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 121.964 1.776 . . . . 0.0 112.237 169.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 74' ' ' ARG . . . -60.05 -38.99 95.12 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 124.186 0.929 . . . . 0.0 112.832 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 57' ' ' PHE . 41.9 tp -54.35 -55.63 26.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.482 1.113 . . . . 0.0 110.377 171.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -61.25 -36.23 79.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.46 1.104 . . . . 0.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 64.7 mtp85 -59.64 -37.37 78.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.877 0.871 . . . . 0.0 111.646 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -73.5 -46.3 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.217 0.323 . . . . 0.0 110.249 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.47 -23.35 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 123.633 0.583 . . . . 0.0 111.343 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.59 -58.57 2.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.496 0.718 . . . . 0.0 110.967 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -91.33 -63.2 1.29 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.611 0.596 . . . . 0.0 112.611 -167.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.1 m -96.7 -0.67 47.97 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -166.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.463 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.4 m170 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 124.688 1.195 . . . . 0.0 110.174 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 57.8 m . . . . . 0 C--O 1.246 0.905 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.08 111.69 7.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.76 137.23 33.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.902 0.481 . . . . 0.0 110.144 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.3 t -75.48 99.93 0.35 Allowed Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 164.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' HD13 ' A' ' 48' ' ' LEU . 10.1 Cg_endo -48.19 -29.1 12.04 Favored 'Trans proline' 0 C--N 1.381 2.263 0 C-N-CA 123.978 3.118 . . . . 0.0 115.661 -165.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.98 -18.58 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.552 0 C-N-CA 123.552 0.741 . . . . 0.0 112.116 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.656 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 30.8 p -141.14 132.22 26.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.98 109.85 2.82 Favored Glycine 0 C--N 1.356 1.646 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -175.75 101.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -159.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.633 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 60.0 p -93.24 130.57 38.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 0.0 111.544 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.13 145.01 47.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.849 1.259 . . . . 0.0 110.009 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 -33.61 70.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.813 0.445 . . . . 0.0 111.4 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -116.24 152.72 33.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.079 0.552 . . . . 0.0 111.176 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -71.92 -21.99 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.769 0.828 . . . . 0.0 111.487 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.71 -39.71 47.7 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.67 0.606 . . . . 0.0 112.379 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.61 67.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.598 0.359 . . . . 0.0 110.445 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.64 -59.66 3.71 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.716 0.807 . . . . 0.0 111.678 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -71.84 -19.45 61.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.977 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -29.43 62.09 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.189 0.305 . . . . 0.0 111.146 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.493 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t-80 -68.9 -40.81 78.94 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB3' HG12 ' A' ' 56' ' ' VAL . 95.7 mt -64.66 -33.85 76.92 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.555 175.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -75.52 -40.47 56.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.574 0.75 . . . . 0.0 111.152 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.7 mt -105.64 -68.58 0.86 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.543 0.737 . . . . 0.0 111.459 -168.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.44 -4.67 57.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.404 0.682 . . . . 0.0 112.419 -169.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.656 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 1.7 m170 -139.57 37.69 2.03 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.438 1.095 . . . . 0.0 109.269 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -23.51 65.97 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.186 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.14 -5.39 31.34 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.762 0.825 . . . . 0.0 112.994 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -117.41 8.12 12.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.786 0.834 . . . . 0.0 111.872 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' A' ' 67' ' ' TYR . 33.2 m -129.01 158.52 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.743 0.782 . . . . 0.0 111.66 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.557 ' HB3' HD23 ' A' ' 72' ' ' LEU . 81.9 m-85 -131.41 88.77 42.8 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 125.22 1.408 . . . . 0.0 108.734 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.37 139.91 23.88 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.989 2.46 . . . . 0.0 112.632 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 34.8 t -68.41 104.59 1.93 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.233 0.613 . . . . 0.0 109.389 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -38.58 -48.45 1.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.784 2.034 . . . . 0.0 116.445 -161.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -73.65 -39.93 64.11 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -171.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.453 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 30.9 p -107.7 152.19 41.41 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 122.994 0.518 . . . . 0.0 111.115 -172.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.3 80.01 1.07 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.271 1.98 . . . . 0.0 110.698 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 93.19 2.54 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.45 1.1 . . . . 0.0 108.2 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -92.65 115.79 28.42 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.219 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.43 136.71 40.82 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.766 0.826 . . . . 0.0 109.081 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.508 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 t80 -77.69 -10.8 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.589 0.356 . . . . 0.0 110.892 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.3 m -125.75 144.86 50.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.375 0.67 . . . . 0.0 110.712 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 11.3 t -67.21 -39.37 20.62 Favored Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 124.371 1.068 . . . . 0.0 112.208 177.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 Cg_endo -61.27 -26.8 82.46 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.642 1.561 . . . . 0.0 112.693 169.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.28 -38.46 62.84 Favored Glycine 0 C--N 1.355 1.584 0 O-C-N 123.78 0.675 . . . . 0.0 112.411 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 57' ' ' PHE . 25.2 tp -54.23 -49.32 69.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.14 0.976 . . . . 0.0 110.305 170.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 m -61.22 -26.93 68.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.855 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 70' ' ' PRO . 3.7 mmp_? -65.16 -50.67 65.08 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.733 0.413 . . . . 0.0 112.089 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.5 t-80 -76.71 -19.5 57.62 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.802 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mt -75.31 -66.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -54.18 -34.18 59.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.874 0.87 . . . . 0.0 112.807 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -90.52 -60.07 2.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 122.847 0.459 . . . . 0.0 111.649 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -114.57 -7.97 12.76 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -160.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.453 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.5 m80 . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 123.537 0.735 . . . . 0.0 111.091 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.864 0.364 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.99 119.0 24.4 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.08 150.88 22.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.513 0.325 . . . . 0.0 110.732 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HA ' ' HG3' ' A' ' 44' ' ' GLN . 10.9 t -64.17 109.73 3.07 Favored Pre-proline 0 N--CA 1.481 1.088 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 165.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HD2' HD23 ' A' ' 48' ' ' LEU . 63.6 Cg_exo -44.13 -22.08 0.47 Allowed 'Trans proline' 0 N--CA 1.512 2.602 0 C-N-CA 125.097 3.865 . . . . 0.0 117.488 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -93.06 -32.33 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.843 0.457 . . . . 0.0 111.31 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.583 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.8 p -131.25 131.44 43.91 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.054 0.541 . . . . 0.0 110.978 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.34 110.11 2.72 Favored Glycine 0 C--N 1.358 1.756 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 172.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -165.83 101.5 0.67 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -163.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 p -75.26 116.71 16.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.87 0.868 . . . . 0.0 112.434 -166.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -123.41 133.76 54.05 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.158 0.983 . . . . 0.0 109.973 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.58 -40.85 80.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.758 0.823 . . . . 0.0 111.186 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -120.78 163.23 18.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.397 0.679 . . . . 0.0 110.984 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -71.78 -38.29 70.33 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.608 -170.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.52 -28.92 72.07 Favored Glycine 0 N--CA 1.475 1.298 0 O-C-N 123.293 0.37 . . . . 0.0 113.511 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . . . -74.99 -33.14 61.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.437 0.695 . . . . 0.0 111.086 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HG3' ' HA ' ' A' ' 31' ' ' CYS . 13.8 tt0 -63.87 -51.52 64.22 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.288 0.635 . . . . 0.0 110.508 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.3 -35.68 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.28 -173.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.567 ' HE ' ' HA ' ' A' ' 43' ' ' ALA . 9.6 ptp180 -69.64 -39.7 76.95 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.59 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -66.54 -26.93 67.38 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 118.72 0.691 . . . . 0.0 110.451 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' A' ' 32' ' ' PRO . 95.9 mt -72.0 -67.28 0.55 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.791 0.682 . . . . 0.0 110.416 175.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -68.29 -19.67 64.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.02 -63.21 1.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.764 0.425 . . . . 0.0 110.887 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.6 mt -105.56 -52.36 2.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.387 0.675 . . . . 0.0 112.183 -169.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.583 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 9.5 m170 -91.13 38.48 0.96 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.406 1.083 . . . . 0.0 111.484 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.493 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -80.19 -4.17 51.97 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.202 1.401 . . . . 0.0 111.742 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.76 81.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.17 0.988 . . . . 0.0 111.335 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -104.14 -3.11 24.87 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.178 0.591 . . . . 0.0 112.324 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 53' ' ' ALA . 34.2 m -126.93 142.24 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.543 ' HB3' HD22 ' A' ' 72' ' ' LEU . 69.0 m-85 -133.1 87.16 40.22 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.649 1.18 . . . . 0.0 109.361 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.525 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 91.5 Cg_endo -78.4 128.58 8.91 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 122.646 2.231 . . . . 0.0 113.13 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 2.1 t -64.34 102.52 0.54 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 171.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.85 -30.39 63.78 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.505 1.522 . . . . 0.0 114.987 -155.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -80.1 -7.21 58.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.156 0.582 . . . . 0.0 111.574 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 28.7 p -135.89 154.33 77.71 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.305 1.042 . . . . 0.0 110.778 171.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 77.06 2.53 Favored 'Trans proline' 0 CA--C 1.56 1.809 0 C-N-CA 122.072 1.848 . . . . 0.0 111.117 163.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . . . -141.43 102.66 4.25 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.335 1.054 . . . . 0.0 108.325 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 31.8 m -96.89 132.0 43.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.888 0.875 . . . . 0.0 110.972 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.15 130.44 52.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.878 0.871 . . . . 0.0 110.073 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -83.4 20.03 1.42 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.541 0.736 . . . . 0.0 111.183 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.504 ' HB2' ' HD2' ' A' ' 70' ' ' PRO . 52.2 p -151.61 143.6 23.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.118 0.967 . . . . 0.0 109.017 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 p -66.74 -31.88 4.53 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 117.817 -1.087 . . . . 0.0 113.213 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.504 ' HD2' ' HB2' ' A' ' 68' ' ' SER . 88.9 Cg_exo -52.44 -49.16 18.4 Favored 'Trans proline' 0 C--N 1.407 3.616 0 C-N-CA 122.163 1.908 . . . . 0.0 112.775 167.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.35 97.9 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 123.394 0.434 . . . . 0.0 112.737 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -54.29 -57.93 9.33 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.588 1.155 . . . . 0.0 110.95 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -73.1 -25.81 61.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.474 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.68 -38.0 80.01 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.846 0.293 . . . . 0.0 111.186 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.4 t-80 -75.48 -17.86 60.01 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.662 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.0 mt -80.7 -65.97 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.92 -36.35 48.72 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.452 1.101 . . . . 0.0 113.199 -176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -92.67 -59.75 1.99 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.057 0.543 . . . . 0.0 111.561 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.6 m -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -162.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 62' ' ' CYS . 14.4 m80 . . . . . 0 N--CA 1.495 1.816 0 C-N-CA 123.54 0.736 . . . . 0.0 112.291 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.494 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.6 m80 -139.25 117.0 11.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.567 1.147 . . . . 0.0 108.273 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.7 mt -106.85 139.43 41.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.251 0.62 . . . . 0.0 110.207 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 40.7 t -63.27 105.48 0.67 Allowed Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HD2' HD22 ' A' ' 48' ' ' LEU . 92.5 Cg_exo -48.04 -29.86 12.99 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.229 3.286 . . . . 0.0 116.067 -169.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 55' ' ' GLN . 10.3 t -86.24 -17.15 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 C-N-CA 122.926 0.491 . . . . 0.0 112.311 -172.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.6 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.6 p -145.52 135.77 23.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.814 -0.554 . . . . 0.0 111.083 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.97 110.92 3.77 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 173.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -162.65 108.61 1.2 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -171.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -74.73 114.02 12.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.976 0.51 . . . . 0.0 111.108 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' HIS . 69.5 m-85 -115.08 142.37 46.74 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.23 28.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.631 0.772 . . . . 0.0 109.8 172.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -97.91 150.65 21.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 0.0 111.535 -176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.73 -34.04 66.81 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.185 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.11 97.53 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.3 71.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 111.134 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.69 -50.61 71.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.879 0.872 . . . . 0.0 111.161 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.44 -35.61 73.47 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.973 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -69.29 -24.77 64.0 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.309 0.38 . . . . 0.0 111.608 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.515 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.1 t-80 -69.95 -41.15 74.93 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HB3' HG13 ' A' ' 56' ' ' VAL . 91.3 mt -69.81 -31.1 68.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.046 0.939 . . . . 0.0 111.559 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -82.51 -37.79 24.74 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 110.605 -174.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -100.97 -72.15 0.69 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.116 0.567 . . . . 0.0 110.367 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.44 -12.42 46.19 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -163.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.6 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -134.09 32.06 3.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.364 1.066 . . . . 0.0 109.846 -176.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -75.02 -26.4 59.48 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.233 1.013 . . . . 0.0 112.559 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.15 72.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 0.0 111.0 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.605 ' HG3' HG13 ' A' ' 33' ' ' VAL . 14.4 mm100 -82.15 -26.98 32.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.72 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 48' ' ' LEU . 20.2 m -93.61 153.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.492 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.07 84.14 49.46 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.424 1.09 . . . . 0.0 110.026 -175.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 61.4 Cg_endo -75.81 123.07 7.18 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.51 2.14 . . . . 0.0 111.598 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 12.8 t -58.78 102.99 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.005 . . . . 0.0 110.225 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -17.05 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 127.808 2.443 . . . . 0.0 116.311 -164.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 3.7 m-85 -83.03 -17.54 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.94 -161.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -130.65 144.68 54.39 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 123.262 0.625 . . . . 0.0 110.05 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.85 82.6 1.22 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.429 2.086 . . . . 0.0 111.714 173.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.98 99.2 3.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.489 1.116 . . . . 0.0 108.22 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 64.1 m -92.77 137.12 32.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.462 0.705 . . . . 0.0 111.126 -173.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.39 144.0 50.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.394 1.477 . . . . 0.0 108.814 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -96.15 10.03 39.0 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.885 0.474 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.3 m -131.18 140.65 49.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.587 0.755 . . . . 0.0 109.91 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -65.46 -41.64 51.72 Favored Pre-proline 0 CA--C 1.567 1.607 0 C-N-CA 124.237 1.015 . . . . 0.0 112.719 -177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.41 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 28.0 Cg_exo -64.53 -42.51 16.24 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 121.855 1.704 . . . . 0.0 111.389 171.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.21 -34.24 53.13 Favored Glycine 0 C--N 1.363 2.055 0 O-C-N 124.39 1.056 . . . . 0.0 113.43 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.39 -53.0 50.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.772 1.229 . . . . 0.0 111.521 173.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.7 m -79.28 -24.13 43.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.302 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.6 mtt-85 -57.61 -30.1 65.05 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.949 0.499 . . . . 0.0 111.407 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.1 t-80 -67.68 -44.47 77.71 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.696 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 45.5 mt -67.15 -24.16 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.232 1.013 . . . . 0.0 110.941 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -84.45 -43.03 15.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.331 0.653 . . . . 0.0 110.619 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.505 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 87.7 tttt -93.07 -63.55 1.2 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -167.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.505 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 77.0 m -119.81 24.31 10.63 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.823 0.849 . . . . 0.0 111.702 -169.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.696 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.0 t-160 . . . . . 0 CA--C 1.563 1.476 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 49.6 t . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.386 0.612 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -136.63 118.35 15.04 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.706 1.202 . . . . 0.0 108.511 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 37' ' ' SER . 50.0 mt -117.66 127.49 54.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.772 0.829 . . . . 0.0 109.47 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.83 108.66 1.97 Allowed Pre-proline 0 N--CA 1.484 1.227 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' ' 48' ' ' LEU . 39.7 Cg_endo -61.61 -1.04 1.76 Allowed 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 123.594 2.863 . . . . 0.0 116.071 -165.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.92 -16.13 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 C-N-CA 123.479 0.712 . . . . 0.0 111.537 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.573 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 17.5 p -154.77 163.67 39.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.007 0.523 . . . . 0.0 111.368 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.03 107.97 2.35 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.0 81.43 1.43 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.935 1.294 . . . . 0.0 108.371 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' HD22 ' A' ' 30' ' ' LEU . 13.3 p -80.44 116.54 20.55 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.172 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.49 143.12 43.63 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.797 0.839 . . . . 0.0 109.804 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . . . -74.97 -31.87 61.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.345 0.658 . . . . 0.0 110.092 171.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 m -90.13 145.14 25.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.899 0.879 . . . . 0.0 111.893 -177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -72.1 -48.59 42.76 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.547 0.739 . . . . 0.0 110.859 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.77 92.0 Favored Glycine 0 C--N 1.347 1.188 0 O-C-N 123.656 0.598 . . . . 0.0 112.997 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -17.67 63.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.808 0.843 . . . . 0.0 111.84 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.89 -55.1 4.25 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.627 0.771 . . . . 0.0 109.061 172.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.64 -28.17 68.35 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.267 1.027 . . . . 0.0 112.608 -171.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 5.2 ptp180 -60.3 -39.5 87.17 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.95 -32.78 74.66 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 117.803 0.274 . . . . 0.0 110.268 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 32' ' ' PRO . 67.9 mt -71.97 -42.97 65.89 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 123.971 0.795 . . . . 0.0 112.023 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -79.34 -25.65 42.26 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 118.374 0.534 . . . . 0.0 111.78 -176.288 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.73 -75.46 0.48 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.705 0.402 . . . . 0.0 111.235 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -96.62 -24.77 15.85 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -166.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.573 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 3.3 m170 -114.98 38.88 3.03 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.762 0.825 . . . . 0.0 110.457 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -82.47 -2.99 55.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.385 -1.28 . . . . 0.0 113.124 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.61 -27.34 51.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.101 0.561 . . . . 0.0 111.001 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.0 -32.88 15.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.721 0.808 . . . . 0.0 111.679 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 35.8 m -92.61 158.61 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 171.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.555 ' HB3' HD23 ' A' ' 72' ' ' LEU . 92.6 m-85 -131.99 89.92 36.98 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.118 0.967 . . . . 0.0 109.266 -173.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.13 121.52 8.34 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.992 2.462 . . . . 0.0 112.886 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.14 120.51 9.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.69 0.796 . . . . 0.0 109.165 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.48 -17.6 62.9 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -160.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -102.69 -24.67 13.73 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -132.93 135.04 25.24 Favored Pre-proline 0 N--CA 1.495 1.795 0 CA-C-O 118.526 -0.749 . . . . 0.0 111.1 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -60.85 93.76 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.003 2.469 . . . . 0.0 111.5 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.05 105.15 1.74 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.521 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.434 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 17.1 p -93.07 125.18 37.54 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 122.828 0.451 . . . . 0.0 111.319 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -110.39 125.42 53.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.51 1.124 . . . . 0.0 108.612 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.43 -1.26 20.34 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.625 0.37 . . . . 0.0 111.499 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.5 m -130.8 136.1 48.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.972 0.909 . . . . 0.0 109.719 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -67.59 -30.87 3.15 Favored Pre-proline 0 CA--C 1.565 1.545 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 51.4 Cg_exo -57.12 -37.88 97.03 Favored 'Trans proline' 0 C--N 1.402 3.367 0 CA-C-N 122.24 1.836 . . . . 0.0 112.088 170.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.34 -37.03 70.45 Favored Glycine 0 C--N 1.357 1.699 0 O-C-N 123.8 0.687 . . . . 0.0 113.071 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 57' ' ' PHE . 23.1 tp -52.04 -56.81 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.183 0.993 . . . . 0.0 110.635 171.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -68.42 -35.23 77.34 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.029 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 1.4 ttm180 -62.58 -30.18 71.14 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.919 0.888 . . . . 0.0 111.71 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.84 -52.48 50.1 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 174.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.55 -22.85 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.255 1.022 . . . . 0.0 111.429 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.53 -56.82 3.42 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.577 0.751 . . . . 0.0 111.506 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -94.02 -61.85 1.46 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.469 0.708 . . . . 0.0 111.478 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.8 t -95.46 11.29 33.43 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.928 0.891 . . . . 0.0 112.445 -164.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.556 1.192 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -147.0 129.6 16.0 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.8 mt -89.16 146.68 24.63 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.175 0.59 . . . . 0.0 109.882 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 12.6 t -66.42 96.18 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.981 172.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 48' ' ' LEU . 10.0 Cg_exo -23.95 -56.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.384 2.404 1 C-N-CA 125.985 4.456 . . . . 0.0 117.176 -157.17 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.437 HG22 ' HB3' ' A' ' 55' ' ' GLN . 35.8 t -79.15 -25.52 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 122.953 0.501 . . . . 0.0 112.194 -169.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.479 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 20.5 p -120.17 123.28 42.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.765 -0.584 . . . . 0.0 109.471 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 109.95 2.47 Favored Glycine 0 C--N 1.351 1.399 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -162.2 102.71 1.11 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 120.1 14.58 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.232 0.957 . . . . 0.0 112.364 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.57 131.51 49.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.048 0.939 . . . . 0.0 109.62 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -20.21 62.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.932 0.893 . . . . 0.0 112.174 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -141.44 153.56 45.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.44 0.696 . . . . 0.0 110.162 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.45 -19.75 64.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 123.597 0.759 . . . . 0.0 110.885 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.23 87.19 Favored Glycine 0 C--N 1.349 1.3 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.75 60.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.638 0.775 . . . . 0.0 111.494 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.46 -57.86 9.68 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.693 0.797 . . . . 0.0 110.228 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -61.74 -26.23 67.93 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.468 1.107 . . . . 0.0 111.308 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.86 -44.51 89.49 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.968 0.792 . . . . 0.0 111.259 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.4 t-80 -71.34 -36.08 71.41 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.436 0.562 . . . . 0.0 109.901 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' HB3' HG12 ' A' ' 56' ' ' VAL . 93.5 mt -65.81 -32.35 73.84 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.061 0.851 . . . . 0.0 112.288 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -84.41 -32.02 24.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 122.021 -0.424 . . . . 0.0 111.583 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.39 -78.2 0.34 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.532 0.333 . . . . 0.0 111.281 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -102.3 17.54 23.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.173 0.589 . . . . 0.0 111.695 -169.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.479 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -147.97 27.0 0.98 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.807 0.443 . . . . 0.0 111.296 178.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.88 60.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.989 0.916 . . . . 0.0 112.012 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -14.39 62.45 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.553 0.741 . . . . 0.0 111.76 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.437 ' HB3' HG22 ' A' ' 33' ' ' VAL . 27.0 mm-40 -107.44 -12.71 15.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.807 0.843 . . . . 0.0 112.862 -174.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 48' ' ' LEU . 31.7 m -110.0 144.78 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 120.95 0.405 . . . . 0.0 110.524 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.519 ' HB3' HD23 ' A' ' 72' ' ' LEU . 98.2 m-85 -133.37 83.47 49.7 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 125.005 1.322 . . . . 0.0 109.37 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.2 Cg_endo -75.53 118.04 5.0 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.578 2.185 . . . . 0.0 112.117 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 47.2 t -70.55 103.45 2.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 171.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -50.77 -48.31 59.41 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.919 1.687 . . . . 0.0 115.474 -153.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.524 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 19.3 m-85 -82.39 -5.51 58.69 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.804 0.442 . . . . 0.0 111.699 -166.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.98 157.28 78.52 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.18 42.17 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.578 2.185 . . . . 0.0 113.118 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.22 92.08 3.91 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.24 1.016 . . . . 0.0 109.366 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 48.9 m -93.2 113.42 25.64 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -90.73 168.39 11.79 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 109.343 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -116.03 -4.67 11.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.203 0.601 . . . . 0.0 109.706 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -129.57 136.39 49.74 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.849 0.86 . . . . 0.0 109.609 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 p -65.76 -30.47 3.91 Favored Pre-proline 0 CA--C 1.571 1.764 0 CA-C-O 117.373 -1.298 . . . . 0.0 113.958 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.33 -47.2 27.1 Favored 'Trans proline' 0 C--N 1.407 3.642 0 C-N-CA 122.141 1.894 . . . . 0.0 112.946 167.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.01 93.99 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.009 0.193 . . . . 0.0 112.762 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 57' ' ' PHE . 66.6 tp -57.55 -58.96 6.02 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.867 0.867 . . . . 0.0 110.795 176.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -66.91 -33.34 75.37 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.728 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -70.86 -24.35 62.5 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.465 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.9 t-80 -71.93 -56.85 4.96 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.9 mt -50.78 -36.97 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 124.846 1.259 . . . . 0.0 112.158 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -83.97 -57.74 3.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.233 0.613 . . . . 0.0 111.482 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -89.6 -59.8 2.11 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.965 0.506 . . . . 0.0 112.347 -166.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -96.43 10.23 38.86 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.921 0.488 . . . . 0.0 112.128 -173.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 124.123 0.969 . . . . 0.0 108.626 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.19 32.68 9.45 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.505 0.503 . . . . 0.0 112.992 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -75.45 107.51 7.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -145.65 146.46 31.32 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.783 0.433 . . . . 0.0 111.193 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -105.46 147.66 28.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.618 0.767 . . . . 0.0 109.984 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -100.45 42.33 1.12 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.857 0.863 . . . . 0.0 109.838 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -66.65 89.71 0.16 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.516 -173.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -110.68 24.11 13.36 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.34 1.056 . . . . 0.0 108.275 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 m -69.23 102.0 1.6 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.514 1.126 . . . . 0.0 110.698 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -138.57 61.61 1.57 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 122.056 0.932 . . . . 0.0 108.518 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.1 mtm -81.51 122.7 27.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.562 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.91 -114.47 0.62 Allowed Glycine 0 N--CA 1.461 0.352 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 57.56 82.18 0.13 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.317 1.047 . . . . 0.0 111.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.5 104.78 0.18 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.996 -0.336 . . . . 0.0 112.544 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -136.14 123.13 21.44 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.91 174.17 36.58 Favored Glycine 0 C--N 1.339 0.748 0 O-C-N 123.279 0.362 . . . . 0.0 112.585 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.21 139.18 13.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.752 0.821 . . . . 0.0 109.465 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.33 -156.29 26.91 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.145 0.278 . . . . 0.0 112.45 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.31 -175.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.794 0.838 . . . . 0.0 110.982 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -133.02 126.86 32.83 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.3 0.64 . . . . 0.0 110.006 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.68 -5.84 81.02 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.943 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 tp -151.27 154.46 36.83 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 m -51.83 -46.45 64.35 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.435 0.694 . . . . 0.0 112.282 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.73 -177.07 0.11 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.48 1.112 . . . . 0.0 112.189 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t 63.87 -179.1 0.16 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.459 1.103 . . . . 0.0 111.375 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.94 166.37 31.96 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.892 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.45 77.55 0.77 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.146 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -111.1 -49.47 3.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.182 0.993 . . . . 0.0 108.45 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -128.99 124.94 36.31 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.728 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -124.85 126.69 45.98 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 t -61.83 102.69 0.33 Allowed Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.545 ' HD2' HD21 ' A' ' 48' ' ' LEU . 85.1 Cg_exo -49.57 -17.45 1.86 Allowed 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 124.463 3.442 . . . . 0.0 117.125 -165.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.29 -26.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 C-N-CA 122.716 0.406 . . . . 0.0 111.603 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.18 117.91 17.06 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.132 0.573 . . . . 0.0 110.016 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.01 110.52 3.54 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -158.72 119.38 3.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -172.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 m -71.21 115.81 10.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.241 0.616 . . . . 0.0 111.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -114.77 128.81 56.51 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.651 0.78 . . . . 0.0 108.921 172.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.75 -46.52 21.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.9 m -78.29 140.01 38.85 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.444 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -78.2 -35.31 48.74 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.275 0.63 . . . . 0.0 110.633 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.27 -23.95 68.59 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.78 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.35 -32.28 68.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.585 0.754 . . . . 0.0 111.117 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -67.64 -49.25 63.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.838 0.855 . . . . 0.0 110.578 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.87 -40.91 95.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -68.56 -34.81 76.48 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.22 0.325 . . . . 0.0 110.49 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.48 -22.59 63.6 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.567 0.222 . . . . 0.0 110.647 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD21 ' HD2' ' A' ' 32' ' ' PRO . 91.2 mt -79.84 -66.62 0.85 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.988 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -62.55 -21.04 65.27 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -167.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -89.49 -65.42 1.02 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.288 0.635 . . . . 0.0 110.924 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -96.26 -60.06 1.7 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.038 0.535 . . . . 0.0 111.411 -170.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -92.65 47.35 1.29 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.057 0.943 . . . . 0.0 111.738 -171.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.13 -5.09 53.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.451 -175.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.68 -34.51 75.8 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.678 0.391 . . . . 0.0 111.455 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -87.13 -30.96 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.569 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.51 140.42 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.069 0.547 . . . . 0.0 110.468 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -113.84 95.76 38.72 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 123.939 0.896 . . . . 0.0 110.725 -173.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.544 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 87.5 Cg_endo -79.88 121.07 4.42 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.991 2.461 . . . . 0.0 112.807 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -67.93 101.61 1.13 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -55.08 -27.02 41.8 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -155.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -76.62 -20.35 56.83 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.828 0.451 . . . . 0.0 111.572 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 30.7 p -133.5 154.72 80.95 Favored Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.202 1.001 . . . . 0.0 109.695 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.12 4.55 4.19 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.315 2.01 . . . . 0.0 113.738 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.54 95.89 0.11 Allowed 'General case' 0 C--O 1.25 1.084 0 C-N-CA 123.381 0.672 . . . . 0.0 110.228 173.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.544 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 29.4 m -93.23 123.49 36.54 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.174 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.04 157.69 17.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.441 0.696 . . . . 0.0 110.507 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.406 ' HE2' ' HG2' ' A' ' 32' ' ' PRO . 45.8 m-85 -109.58 22.18 16.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.029 0.932 . . . . 0.0 109.525 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -155.18 150.55 27.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.679 0.792 . . . . 0.0 109.607 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -70.57 -48.4 16.94 Favored Pre-proline 0 CA--C 1.562 1.41 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.475 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 26.3 Cg_endo -59.27 -40.77 65.56 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 122.122 1.882 . . . . 0.0 112.383 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.8 59.45 Favored Glycine 0 C--N 1.356 1.639 0 O-C-N 123.362 0.414 . . . . 0.0 113.616 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.9 -59.41 4.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.537 1.135 . . . . 0.0 111.606 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -72.75 -27.58 62.11 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.121 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 64.5 mtp180 -64.53 -23.81 67.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.315 0.384 . . . . 0.0 112.029 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.07 -50.47 27.97 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -29.48 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.75 -50.64 9.02 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.161 0.584 . . . . 0.0 110.774 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -92.96 -62.7 1.33 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.8 t -102.28 7.93 40.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.574 0.75 . . . . 0.0 112.599 -164.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.11 49.83 0.51 Allowed Pre-proline 0 CA--C 1.558 1.273 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -88.14 10.4 3.43 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.305 2.67 . . . . 0.0 114.036 -164.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -99.83 -14.37 18.82 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.937 0.895 . . . . 0.0 110.567 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.86 92.42 4.81 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 123.785 0.834 . . . . 0.0 111.498 -167.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -127.87 31.12 5.17 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.233 1.013 . . . . 0.0 109.971 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.087 -178.079 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtm . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.23 28.23 0.17 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 113.823 0.289 . . . . 0.0 113.823 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -84.88 114.0 21.8 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 173.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -79.7 -178.09 6.2 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.989 0.516 . . . . 0.0 110.174 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -146.32 128.97 16.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.711 0.404 . . . . 0.0 110.587 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -85.46 106.11 16.56 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -67.51 96.42 0.52 Allowed 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.9 0.48 . . . . 0.0 110.152 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -75.82 105.49 6.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 t -75.82 176.13 8.08 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -140.63 142.79 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.98 0.912 . . . . 0.0 108.565 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.38 113.22 5.08 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.56 41.71 2.86 Favored Glycine 0 C--N 1.35 1.343 0 C-N-CA 123.115 0.388 . . . . 0.0 113.571 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.48 134.33 35.21 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.282 1.033 . . . . 0.0 108.962 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.19 -135.03 2.62 Favored Glycine 0 C--N 1.336 0.559 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -163.58 -179.18 6.27 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.543 0.737 . . . . 0.0 109.47 -175.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.85 89.79 0.07 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.06 109.65 10.64 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 109.955 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.17 73.25 2.29 Favored Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.7 148.47 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.539 0.736 . . . . 0.0 112.197 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.47 104.91 15.04 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.403 -175.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.49 31.25 0.3 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.01 -26.05 63.88 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.239 0.616 . . . . 0.0 111.969 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -115.96 100.64 8.12 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.937 0.895 . . . . 0.0 109.401 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.54 138.64 17.34 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.607 0.763 . . . . 0.0 109.824 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 t -140.71 28.38 1.97 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.129 0.972 . . . . 0.0 108.867 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.18 178.27 0.21 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.175 1.39 . . . . 0.0 111.51 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -157.83 -71.89 0.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.7 m -147.9 -70.24 0.23 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.413 1.085 . . . . 0.0 108.147 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -144.41 125.52 14.55 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.63 1.172 . . . . 0.0 108.089 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.5 141.98 45.61 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.17 0.588 . . . . 0.0 110.386 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 35.8 t -83.01 95.56 0.29 Allowed Pre-proline 0 N--CA 1.478 0.936 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 168.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' HD2' HD22 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -53.36 -16.65 7.59 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 123.811 3.007 . . . . 0.0 116.322 -164.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 HG21 ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -82.83 -31.41 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.245 0.618 . . . . 0.0 111.303 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 p -138.14 147.31 43.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.46 0.704 . . . . 0.0 110.803 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 109.5 2.92 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.7 108.19 0.48 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -166.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -108.57 134.88 50.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.622 0.769 . . . . 0.0 110.939 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -139.91 142.01 36.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.497 1.119 . . . . 0.0 109.002 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.52 -37.66 36.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.909 0.484 . . . . 0.0 109.715 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 p -77.89 123.55 26.9 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.012 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 21.3 ttpp -68.1 -30.3 69.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.097 0.559 . . . . 0.0 111.234 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.35 -34.74 89.35 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.226 0.329 . . . . 0.0 112.595 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.155 0.582 . . . . 0.0 110.524 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -65.77 -44.64 85.22 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.117 0.567 . . . . 0.0 110.166 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 59.9 mm-40 -56.81 -52.6 64.44 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 124.113 0.883 . . . . 0.0 110.565 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.24 -27.81 68.92 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.728 0.643 . . . . 0.0 112.552 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.483 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -70.57 -28.05 64.59 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 176.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.537 HD22 ' HD2' ' A' ' 32' ' ' PRO . 97.0 mt -86.28 -67.66 0.79 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.069 0.547 . . . . 0.0 111.798 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 16.0 ptm180 -57.76 -30.5 65.67 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 68.4 mt -95.5 -62.69 1.26 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.7 0.4 . . . . 0.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.7 mt -85.96 -49.0 8.18 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -168.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -116.65 54.68 0.84 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.049 0.928 . . . . 0.0 110.775 -169.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -87.79 7.33 30.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.189 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.58 62.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.095 0.958 . . . . 0.0 112.403 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.577 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -106.05 -26.17 11.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.753 0.421 . . . . 0.0 111.848 -177.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 53' ' ' ALA . 33.2 m -85.69 141.38 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.53 86.67 12.85 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.16 0.984 . . . . 0.0 110.344 -177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 84.1 Cg_endo -79.53 130.23 8.79 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.764 2.309 . . . . 0.0 112.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.98 103.76 0.25 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.98 -17.58 64.54 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -157.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -92.79 -22.54 19.28 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.112 0.565 . . . . 0.0 112.02 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -135.39 148.24 65.25 Favored Pre-proline 0 N--CA 1.485 1.288 0 CA-C-O 118.906 -0.569 . . . . 0.0 110.202 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.95 92.12 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 121.95 1.767 . . . . 0.0 112.219 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.88 95.53 1.53 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.641 1.177 . . . . 0.0 109.178 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 25.2 m -92.26 122.11 34.42 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.484 0.714 . . . . 0.0 110.79 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.99 168.92 8.87 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.065 0.946 . . . . 0.0 109.708 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' HD1' HG11 ' A' ' 56' ' ' VAL . 24.6 t80 -121.51 16.54 11.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.633 0.73 . . . . 0.0 109.751 175.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -133.6 138.89 46.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.306 0.642 . . . . 0.0 110.113 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 m -63.66 -44.68 81.29 Favored Pre-proline 0 CA--C 1.569 1.71 0 C-N-CA 123.968 0.907 . . . . 0.0 111.567 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 36.5 Cg_endo -64.94 -36.04 40.82 Favored 'Trans proline' 0 C--N 1.402 3.384 0 C-N-CA 121.785 1.657 . . . . 0.0 111.523 169.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.31 91.89 Favored Glycine 0 C--N 1.364 2.114 0 O-C-N 123.587 0.555 . . . . 0.0 113.027 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.5 -48.82 74.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.888 1.275 . . . . 0.0 110.414 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 m -74.91 -26.11 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.187 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.2 mtt-85 -61.28 -32.5 72.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.18 0.592 . . . . 0.0 111.593 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -52.79 41.13 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.28 -32.92 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.804 1.242 . . . . 0.0 112.126 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -81.78 -58.49 2.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.277 0.631 . . . . 0.0 110.002 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -90.65 -61.2 1.73 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.461 0.704 . . . . 0.0 112.656 -167.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -101.94 10.11 39.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.516 0.727 . . . . 0.0 112.099 -167.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 2.5 t-160 -155.39 47.64 0.33 Allowed Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 124.11 0.964 . . . . 0.0 109.497 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.23 -17.52 16.88 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.775 1.65 . . . . 0.0 112.7 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -96.65 20.21 11.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.73 0.812 . . . . 0.0 112.527 -170.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 7.6 pt-20 -84.42 60.02 5.77 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 121.749 0.785 . . . . 0.0 110.335 174.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -89.73 157.65 17.88 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.358 1.063 . . . . 0.0 109.1 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 . . . . . 0 C--O 1.249 1.076 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -173.523 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.93 -170.82 27.79 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-O 119.579 -0.567 . . . . 0.0 112.435 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.275 38.1 p-80 57.03 -63.09 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 127.648 2.379 . . . . 0.0 114.319 -175.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 67.13 -156.47 0.23 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.814 1.246 . . . . 0.0 109.256 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -137.62 89.89 2.45 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.664 0.665 . . . . 0.0 111.183 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -167.6 139.52 3.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.774 0.83 . . . . 0.0 110.318 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -136.71 161.24 36.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.468 1.107 . . . . 0.0 109.245 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -160.11 139.16 10.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.153 0.981 . . . . 0.0 108.697 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -155.87 107.55 2.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.944 0.497 . . . . 0.0 109.868 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -141.82 129.42 21.48 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.9 ttt -148.01 89.57 1.75 Allowed 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.117 0.484 . . . . 0.0 110.613 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.73 93.74 1.44 Allowed Glycine 0 C--N 1.344 1.006 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -150.37 150.34 31.28 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.422 0.689 . . . . 0.0 111.085 -171.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 76.94 0.04 OUTLIER Glycine 0 C--N 1.353 1.493 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -126.78 155.57 42.59 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.281 1.032 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.71 148.6 8.43 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.56 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.17 124.08 28.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.023 0.929 . . . . 0.0 109.181 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.25 61.23 0.03 OUTLIER Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG22 ' HG ' ' A' ' 20' ' ' LEU . 20.5 m -96.56 -28.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.455 0.702 . . . . 0.0 111.565 177.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' HG ' HG22 ' A' ' 19' ' ' VAL . 96.0 mt -123.87 155.04 38.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.695 0.798 . . . . 0.0 110.679 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.4 18.47 Favored Glycine 0 N--CA 1.474 1.224 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.41 131.35 35.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.181 0.593 . . . . 0.0 110.346 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 p -74.86 -15.58 60.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.466 0.706 . . . . 0.0 111.996 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.28 -71.73 0.13 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.756 1.622 . . . . 0.0 111.661 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 m 64.9 -179.58 0.18 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.918 1.287 . . . . 0.0 111.66 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.0 -69.69 0.31 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.037 0.535 . . . . 0.0 109.719 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.42 168.25 27.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.674 0.79 . . . . 0.0 110.188 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -162.6 163.88 26.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.146 0.979 . . . . 0.0 110.581 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -71.82 128.42 35.69 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.06 0.944 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.15 136.69 47.4 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.86 0.464 . . . . 0.0 110.862 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -67.19 111.41 7.14 Favored Pre-proline 0 N--CA 1.485 1.295 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.448 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD2' HD21 ' A' ' 48' ' ' LEU . 40.1 Cg_exo -39.01 -38.81 1.19 Allowed 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 125.041 3.827 . . . . 0.0 116.013 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 t -79.95 -23.31 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.605 0.762 . . . . 0.0 111.71 -172.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 23.1 p -145.2 118.2 8.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.978 0.511 . . . . 0.0 110.161 177.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.27 107.37 1.78 Allowed Glycine 0 C--N 1.353 1.487 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -154.34 126.37 7.76 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -77.24 115.68 17.22 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.963 0.789 . . . . 0.0 111.547 -167.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -121.53 125.37 46.62 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.656 0.782 . . . . 0.0 108.97 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.51 -43.31 27.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -77.8 133.49 38.2 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.836 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -62.55 -35.03 78.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.683 0.793 . . . . 0.0 110.906 173.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.72 90.7 Favored Glycine 0 C--N 1.346 1.102 0 O-C-N 123.3 0.375 . . . . 0.0 112.953 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -33.97 70.35 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.533 0.733 . . . . 0.0 110.934 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -69.41 -47.6 63.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.986 0.914 . . . . 0.0 109.874 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -46.01 90.79 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.835 1.654 . . . . 0.0 111.636 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -66.39 -30.36 70.72 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.575 0.547 . . . . 0.0 111.53 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 2.4 t-80 -69.01 -22.21 64.08 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.477 HD21 ' HD2' ' A' ' 32' ' ' PRO . 96.8 mt -84.67 -65.32 1.02 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.731 0.644 . . . . 0.0 110.166 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -65.89 -23.73 66.7 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -168.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -97.06 -70.96 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.804 0.442 . . . . 0.0 110.381 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.86 -62.74 1.58 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.119 0.567 . . . . 0.0 111.549 -169.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.511 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 7.7 m170 -86.93 43.46 1.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.531 1.132 . . . . 0.0 111.505 -176.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.73 1.98 24.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.804 1.242 . . . . 0.0 111.63 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -20.93 60.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.862 0.865 . . . . 0.0 111.483 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -102.96 -26.92 12.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.156 0.582 . . . . 0.0 111.832 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.563 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 24.5 m -101.21 115.42 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.208 0.528 . . . . 0.0 109.747 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -92.21 102.46 6.43 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 124.542 1.137 . . . . 0.0 110.197 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.2 Cg_exo -78.05 120.34 4.97 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.604 2.203 . . . . 0.0 111.091 177.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -57.23 104.51 0.17 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 172.36 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.69 -31.37 6.71 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -154.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -73.7 -19.15 60.9 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 122.938 0.495 . . . . 0.0 111.56 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.545 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.1 p -132.23 159.76 70.85 Favored Pre-proline 0 N--CA 1.482 1.14 0 C-N-CA 124.623 1.169 . . . . 0.0 110.562 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.86 9.1 3.41 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.539 2.159 . . . . 0.0 113.836 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.56 5.72 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.72 0.808 . . . . 0.0 110.46 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.563 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 20.5 p -91.57 146.29 23.91 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.611 0.764 . . . . 0.0 111.061 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.22 120.56 19.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.337 1.055 . . . . 0.0 108.796 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -66.6 -14.04 61.87 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.256 0.622 . . . . 0.0 111.252 -172.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.5 m -123.38 142.2 51.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 110.223 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 43.0 p -66.69 -29.01 2.49 Favored Pre-proline 0 CA--C 1.57 1.734 0 CA-C-O 118.299 -0.857 . . . . 0.0 113.165 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -47.95 -47.57 18.64 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 122.176 1.917 . . . . 0.0 113.594 160.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.51 93.24 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 116.594 -0.275 . . . . 0.0 112.608 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 59' ' ' CYS . 22.8 tp -50.8 -56.61 11.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.043 1.337 . . . . 0.0 111.331 175.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 t -71.95 -32.16 67.03 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.148 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -70.2 -20.66 63.09 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.0 t-80 -75.08 -35.05 61.84 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.509 1.05 . . . . 0.0 108.882 170.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 35.0 mt -73.04 -20.45 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 C-N-CA 123.735 0.814 . . . . 0.0 110.123 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.49 -41.73 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.572 -0.705 . . . . 0.0 110.811 173.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -91.8 -62.66 1.38 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.982 0.513 . . . . 0.0 112.222 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.08 20.68 12.63 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.871 0.869 . . . . 0.0 112.279 -167.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.545 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 1.7 m170 -157.08 50.86 0.46 Allowed Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.582 1.153 . . . . 0.0 109.315 171.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 56.9 Cg_endo -84.65 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.556 2.171 . . . . 0.0 114.268 -168.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -76.75 -62.18 1.72 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 123.179 0.592 . . . . 0.0 110.37 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 56.92 18.3 3.82 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.932 1.293 . . . . 0.0 113.614 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -167.71 84.62 0.21 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.292 0.637 . . . . 0.0 109.802 -175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 . . . . . 0 C--O 1.252 1.22 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 172.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.24 159.58 26.41 Favored Glycine 0 C--N 1.346 1.135 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 171.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -146.32 94.57 2.48 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.386 0.593 . . . . 0.0 109.684 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -76.24 146.79 38.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.918 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -132.21 97.67 4.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.673 0.389 . . . . 0.0 110.718 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -121.73 169.53 10.64 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.006 0.922 . . . . 0.0 109.708 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -142.55 165.36 27.6 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -116.44 139.07 50.84 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -136.48 106.63 6.36 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.187 0.595 . . . . 0.0 109.742 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -82.41 70.3 9.34 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-O 121.788 0.804 . . . . 0.0 108.839 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.1 ttt -152.98 132.42 12.91 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.929 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.38 97.39 0.41 Allowed Glycine 0 C--N 1.336 0.535 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.16 -175.31 3.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.885 0.874 . . . . 0.0 109.771 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.72 -131.85 2.15 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -73.49 -34.97 65.58 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 -132.31 11.21 Favored Glycine 0 C--N 1.34 0.773 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.03 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.15 150.67 27.53 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.185 0.594 . . . . 0.0 109.773 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.71 41.72 0.06 OUTLIER Glycine 0 C--N 1.344 0.973 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.542 HG12 ' HA ' ' A' ' 33' ' ' VAL . 17.3 m -95.93 178.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 123.715 0.806 . . . . 0.0 111.308 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 pp -164.4 179.08 6.98 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.61 0.764 . . . . 0.0 111.208 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 137.68 5.23 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.09 127.02 31.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.238 0.615 . . . . 0.0 109.414 -175.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t 62.05 -85.12 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.986 1.315 . . . . 0.0 111.428 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.98 52.48 9.19 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.154 0.982 . . . . 0.0 111.114 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -72.52 0.02 11.52 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.979 0.912 . . . . 0.0 112.757 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.65 154.37 31.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.273 1.029 . . . . 0.0 109.216 170.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -105.48 -89.17 0.43 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.811 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m 48.39 -85.98 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.03 1.332 . . . . 0.0 111.828 -166.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -156.61 131.41 8.94 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.222 1.009 . . . . 0.0 108.909 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.15 143.21 31.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.551 0.74 . . . . 0.0 109.596 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.7 t -62.36 117.36 29.78 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.242 0.617 . . . . 0.0 109.634 170.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.54 ' HD2' HD21 ' A' ' 48' ' ' LEU . 72.8 Cg_exo -46.65 -27.28 5.2 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 124.207 3.271 . . . . 0.0 116.258 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.542 ' HA ' HG12 ' A' ' 19' ' ' VAL . 7.5 t -94.7 -21.59 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.1 p -147.9 114.12 5.88 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.37 109.91 2.78 Favored Glycine 0 C--N 1.358 1.77 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -161.67 116.79 2.01 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -169.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -77.6 115.4 17.33 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.549 0.531 . . . . 0.0 111.596 -170.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -110.1 130.09 55.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 170.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.46 -25.73 26.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.903 0.481 . . . . 0.0 109.816 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -95.81 132.17 41.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.892 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -64.46 -26.64 68.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.104 0.962 . . . . 0.0 111.401 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.58 -50.42 67.95 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.474 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.78 62.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.581 0.753 . . . . 0.0 111.411 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -56.61 -55.54 32.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.974 0.909 . . . . 0.0 110.712 172.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.7 -34.36 64.81 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.18 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.19 -27.63 69.49 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.606 0.362 . . . . 0.0 111.042 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.28 -60.25 3.64 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.54 HD21 ' HD2' ' A' ' 32' ' ' PRO . 26.1 mt -63.1 -22.68 67.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.712 0.805 . . . . 0.0 112.662 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -84.8 -36.04 21.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.356 1.063 . . . . 0.0 112.081 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.7 mt -125.84 -61.86 1.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.725 -167.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.09 -7.93 57.56 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.667 0.787 . . . . 0.0 112.735 -167.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 40.81 0.35 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.733 1.213 . . . . 0.0 108.957 -173.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -20.47 27.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 113.988 -1.46 . . . . 0.0 113.006 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.34 -14.62 61.33 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.94 0.496 . . . . 0.0 112.204 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -101.11 -6.95 23.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.272 0.629 . . . . 0.0 111.604 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.53 145.19 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.002 0.521 . . . . 0.0 109.826 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.403 ' HB3' HD23 ' A' ' 72' ' ' LEU . 97.6 m-85 -125.84 96.82 36.92 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.769 0.828 . . . . 0.0 110.881 -173.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.576 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.1 Cg_endo -77.14 124.86 7.51 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 122.714 2.276 . . . . 0.0 112.135 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.7 t -66.93 101.75 0.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -50.27 -43.02 53.16 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.471 1.509 . . . . 0.0 114.868 -155.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -79.75 -13.01 59.75 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.932 -165.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 p -133.56 145.25 55.56 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.717 0.807 . . . . 0.0 109.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.8 89.53 0.29 Allowed 'Trans proline' 0 CA--C 1.557 1.632 0 C-N-CA 121.685 1.59 . . . . 0.0 111.776 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.67 103.58 1.92 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.961 0.905 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 86.1 m -94.93 137.44 33.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.185 0.594 . . . . 0.0 111.183 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -113.29 167.3 10.67 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.213 1.005 . . . . 0.0 109.797 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.1 20.74 16.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.758 0.823 . . . . 0.0 109.81 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -160.32 140.86 11.77 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.221 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.415 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 32.2 t -68.75 -39.37 14.19 Favored Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 123.98 0.912 . . . . 0.0 112.865 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 69' ' ' SER . 23.8 Cg_endo -61.68 -33.57 85.82 Favored 'Trans proline' 0 C--N 1.393 2.911 0 CA-C-N 121.287 1.495 . . . . 0.0 111.382 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.491 ' HA2' ' HE ' ' A' ' 74' ' ' ARG . . . -63.44 -40.76 99.19 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 123.421 0.451 . . . . 0.0 112.551 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 57' ' ' PHE . 57.3 tp -54.85 -50.93 67.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.366 1.066 . . . . 0.0 110.415 172.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.0 m -61.99 -38.79 89.93 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.326 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.491 ' HE ' ' HA2' ' A' ' 71' ' ' GLY . 50.2 mtm180 -65.97 -23.23 66.55 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.43 -53.79 11.21 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -53.72 -36.81 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.186 1.394 . . . . 0.0 112.069 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.58 -53.74 5.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.259 0.623 . . . . 0.0 112.033 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -90.83 -62.9 1.35 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -171.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.2 t -100.22 12.14 37.73 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.329 0.652 . . . . 0.0 111.818 -164.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.64 57.68 5.56 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.58 -60.58 0.82 Allowed 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 124.327 3.352 . . . . 0.0 114.829 -164.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 m -124.34 85.5 2.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.81 64.44 3.78 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.085 0.945 . . . . 0.0 109.037 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.27 89.73 5.59 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.153 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 123.738 0.815 . . . . 0.0 109.423 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.38 160.12 27.23 Favored Glycine 0 C--N 1.341 0.811 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.594 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -138.49 77.15 1.61 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -153.47 144.6 22.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.205 1.402 . . . . 0.0 109.102 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.53 91.07 4.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.326 0.65 . . . . 0.0 109.546 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -145.35 90.09 1.99 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.07 0.948 . . . . 0.0 108.995 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -132.04 87.18 2.41 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.97 0.908 . . . . 0.0 108.733 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -152.77 137.3 16.81 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.424 1.09 . . . . 0.0 109.07 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 p -85.62 120.96 27.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 122.904 0.482 . . . . 0.0 111.893 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -97.31 -8.32 29.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.829 0.852 . . . . 0.0 110.274 166.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.82 131.12 54.27 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.423 1.089 . . . . 0.0 108.632 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.16 144.06 15.56 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.91 142.45 58.4 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.26 0.624 . . . . 0.0 111.39 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.42 -124.45 0.82 Allowed Glycine 0 C--N 1.341 0.85 0 O-C-N 123.848 0.718 . . . . 0.0 111.754 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -168.74 142.53 3.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.049 0.54 . . . . 0.0 109.839 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.73 94.88 0.21 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.75 93.93 5.82 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.565 0.746 . . . . 0.0 110.158 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.15 137.93 2.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.443 -0.344 . . . . 0.0 112.931 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 m -129.49 -167.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.145 1.378 . . . . 0.0 109.165 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 pp -135.45 140.01 44.53 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.78 37.06 0.89 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.82 -31.47 51.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.691 0.796 . . . . 0.0 111.294 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.6 m -60.33 108.59 0.83 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.209 1.004 . . . . 0.0 112.293 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.32 86.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.465 0.706 . . . . 0.0 111.19 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 64.7 89.61 0.09 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.099 1.36 . . . . 0.0 111.404 175.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.44 165.83 24.27 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.739 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.02 88.13 0.58 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.144 0.578 . . . . 0.0 109.617 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 78.9 m -141.99 -178.28 5.62 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.201 1.0 . . . . 0.0 109.308 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.26 117.0 7.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.566 0.542 . . . . 0.0 109.694 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -103.8 120.83 41.78 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 30.6 t -58.16 106.65 0.73 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.164 0.986 . . . . 0.0 108.749 171.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.5 Cg_exo -46.37 -26.61 4.16 Favored 'Trans proline' 0 C--N 1.388 2.608 0 C-N-CA 124.143 3.228 . . . . 0.0 115.742 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 t -92.72 -19.96 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 C-N-CA 123.579 0.751 . . . . 0.0 111.456 -173.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -150.86 122.08 7.78 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.106 0.562 . . . . 0.0 109.641 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 112.84 5.21 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -164.99 129.38 2.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.767 0.827 . . . . 0.0 109.018 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.6 p -83.52 132.24 34.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 111.256 -173.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.14 128.08 37.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.987 0.915 . . . . 0.0 109.307 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.8 -22.73 19.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -90.07 123.89 34.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.212 1.005 . . . . 0.0 109.486 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 64.3 tttp -60.27 -46.06 91.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.66 0.784 . . . . 0.0 111.527 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.22 65.88 Favored Glycine 0 C--N 1.343 0.961 0 O-C-N 123.912 0.757 . . . . 0.0 113.982 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.65 80.61 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.581 0.752 . . . . 0.0 110.969 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.68 -43.92 83.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.94 0.896 . . . . 0.0 111.034 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 28.8 mm-40 -63.55 -55.74 21.43 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.737 0.815 . . . . 0.0 110.228 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -65.08 -24.63 67.51 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 123.88 0.737 . . . . 0.0 111.694 -175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.412 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -67.49 -44.28 78.87 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.055 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 32' ' ' PRO . 69.5 mt -77.53 -63.48 1.37 Allowed 'General case' 0 C--O 1.212 -0.883 0 O-C-N 123.221 0.326 . . . . 0.0 111.416 -177.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 2.4 ptm180 -64.48 -20.19 66.03 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -172.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.525 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 mt -114.32 -66.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.74 0.416 . . . . 0.0 110.727 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.91 -27.16 57.56 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.528 0.731 . . . . 0.0 112.597 -168.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -138.95 44.0 2.05 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.187 0.995 . . . . 0.0 109.939 -169.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -81.76 3.05 27.2 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.964 -1.471 . . . . 0.0 112.69 -176.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.07 -46.11 82.53 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.312 0.645 . . . . 0.0 111.25 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.64 -42.51 11.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.064 0.546 . . . . 0.0 111.572 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 HG21 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -79.92 169.03 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.92 0.391 . . . . 0.0 110.557 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 93.1 m-85 -129.25 83.68 64.78 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.945 0.898 . . . . 0.0 110.252 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.5 Cg_exo -73.86 119.2 5.76 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 123.15 2.567 . . . . 0.0 111.575 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.4 t -63.61 102.14 0.41 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -51.75 -41.38 61.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -149.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 22.3 m-85 -81.67 -7.08 59.55 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.369 0.531 . . . . 0.0 111.251 -171.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 20.2 p -132.5 149.54 73.36 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.606 0.762 . . . . 0.0 109.548 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.72 1.24 3.94 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.844 2.363 . . . . 0.0 114.567 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.527 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . . . -63.14 104.17 0.55 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.594 0.758 . . . . 0.0 110.445 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 28.8 m -105.88 137.71 43.3 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.04 0.936 . . . . 0.0 110.566 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.26 168.48 9.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.283 1.033 . . . . 0.0 109.547 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' HD1' HG13 ' A' ' 56' ' ' VAL . 17.8 t80 -115.24 8.53 15.53 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.153 0.581 . . . . 0.0 109.593 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -142.56 142.82 32.24 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 123.523 0.729 . . . . 0.0 109.904 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 14.7 m -66.67 -42.0 42.43 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 124.609 1.164 . . . . 0.0 112.786 -176.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.1 -34.56 94.4 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 121.654 1.569 . . . . 0.0 112.317 170.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -41.9 98.73 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 123.394 0.434 . . . . 0.0 112.589 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' A' ' 69' ' ' SER . 52.6 tp -51.22 -47.76 62.23 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.845 1.258 . . . . 0.0 111.262 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -74.09 -31.36 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.624 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -66.75 -28.74 68.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.89 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.444 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 14.6 t-80 -68.93 -34.22 75.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.817 0.735 . . . . 0.0 110.199 176.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.679 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 57.0 mt -63.89 -54.69 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 124.305 1.003 . . . . 0.0 109.7 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -67.6 -25.5 65.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.575 0.75 . . . . 0.0 112.628 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.67 -60.69 1.99 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.165 0.586 . . . . 0.0 111.821 -175.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -149.15 31.93 0.75 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.981 0.512 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.679 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.1 t-160 -145.63 72.51 14.01 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 120.708 0.29 . . . . 0.0 110.974 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.14 -6.71 14.03 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 122.368 2.045 . . . . 0.0 112.964 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -75.09 83.56 2.3 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.674 0.749 . . . . 0.0 109.785 176.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -121.1 -57.41 1.87 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.664 -171.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 65.02 -82.52 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.571 1.548 . . . . 0.0 110.48 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 . . . . . 0 CA--C 1.555 1.168 0 C-N-CA 124.133 0.973 . . . . 0.0 109.952 173.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.32 173.48 44.44 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.408 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -90.92 95.42 10.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.467 0.707 . . . . 0.0 110.446 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -77.99 92.14 4.3 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -63.22 89.2 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -163.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 70.24 -10.44 0.66 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 126.277 1.831 . . . . 0.0 114.102 169.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -81.8 141.22 33.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.358 0.663 . . . . 0.0 111.036 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -131.26 166.26 21.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.006 1.323 . . . . 0.0 108.344 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -140.32 -71.03 0.38 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.044 0.538 . . . . 0.0 110.896 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 m170 64.82 171.39 0.2 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.901 1.28 . . . . 0.0 111.782 -173.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -153.34 116.67 4.63 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.188 0.595 . . . . 0.0 109.786 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.29 125.51 1.22 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.3 -30.66 20.69 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.178 0.591 . . . . 0.0 111.078 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.63 69.43 1.4 Allowed Glycine 0 C--N 1.35 1.313 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -173.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -54.73 -47.96 73.14 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.087 0.955 . . . . 0.0 112.392 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.69 -108.35 2.07 Favored Glycine 0 C--N 1.352 1.427 0 O-C-N 123.775 0.672 . . . . 0.0 112.965 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.16 -156.81 0.66 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.931 0.892 . . . . 0.0 109.54 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.17 -162.53 17.05 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.3 m -90.5 156.65 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 121.182 0.515 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.8 mt -125.85 -53.0 1.55 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.209 1.004 . . . . 0.0 108.738 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.22 143.58 8.1 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.352 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.7 tp -93.36 115.16 27.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 109.44 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m -71.53 94.01 1.25 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.265 0.626 . . . . 0.0 110.042 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.16 176.55 0.18 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.847 1.259 . . . . 0.0 111.718 -175.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.7 m -147.08 129.01 15.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.654 0.782 . . . . 0.0 109.006 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 112.43 2.76 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.458 0.474 . . . . 0.0 109.932 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -75.8 81.94 2.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.582 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.8 m -146.14 -66.94 0.29 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -148.59 134.74 19.28 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.784 0.833 . . . . 0.0 110.55 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.4 mt -126.98 135.44 50.86 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 174.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 34.6 t -56.87 109.45 1.72 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 118.63 0.65 . . . . 0.0 109.597 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -37.95 -37.91 0.65 Allowed 'Trans proline' 0 C--N 1.392 2.825 1 C-N-CA 125.362 4.041 . . . . 0.0 117.056 -166.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 t -92.45 -22.83 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 C-N-CA 123.12 0.568 . . . . 0.0 112.02 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.61 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 21.5 p -133.26 126.91 32.53 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.857 0.463 . . . . 0.0 110.588 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.86 111.28 3.79 Favored Glycine 0 C--N 1.362 1.982 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -160.29 109.2 1.71 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -163.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 m -69.05 116.75 9.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.949 0.9 . . . . 0.0 112.836 -168.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -130.88 160.08 35.51 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 123.9 0.88 . . . . 0.0 109.886 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.74 -55.46 2.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.29 1.036 . . . . 0.0 108.612 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.3 t -75.45 136.18 40.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.949 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.1 ttpt -72.9 -21.97 60.82 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.196 0.31 . . . . 0.0 110.597 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 -33.32 72.55 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -80.93 -23.07 39.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.206 1.002 . . . . 0.0 111.784 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.9 -44.46 63.67 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 0.0 110.112 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 22.7 mm-40 -75.18 -25.69 58.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 10.7 ptp180 -61.12 -40.57 94.3 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 123.325 0.391 . . . . 0.0 110.31 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t-80 -68.66 -36.37 78.48 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 95.9 mt -67.16 -39.89 86.58 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.083 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.413 ' HD3' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -85.45 -19.23 31.6 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 178.245 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 82.4 mt -93.18 -81.45 0.36 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.69 0.396 . . . . 0.0 111.521 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 47' ' ' HIS . 80.3 mt -89.47 -47.86 7.71 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.554 . . . . 0.0 110.887 -168.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.61 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.4 m170 -83.08 39.72 0.66 Allowed 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.522 1.129 . . . . 0.0 111.195 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HA ' ' O ' ' A' ' 48' ' ' LEU . . . -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.132 1.373 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.51 -20.26 64.57 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.261 0.624 . . . . 0.0 111.096 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -85.27 -11.3 55.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.658 0.783 . . . . 0.0 112.23 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.9 163.07 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 120.929 0.395 . . . . 0.0 110.164 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -131.18 83.32 60.51 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.618 1.167 . . . . 0.0 108.859 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.11 124.95 6.24 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.616 2.21 . . . . 0.0 112.118 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.483 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 15.4 t -66.26 102.98 0.91 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.85 -39.42 53.56 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.178 1.791 . . . . 0.0 114.841 -154.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.38 -9.1 59.14 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.545 0.738 . . . . 0.0 112.032 -170.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.519 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.4 p -132.79 150.82 76.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.015 0.926 . . . . 0.0 110.457 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.23 80.69 2.63 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.197 1.931 . . . . 0.0 111.282 173.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.59 106.05 3.52 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.267 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 p -91.88 136.2 33.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.446 0.641 . . . . 0.0 110.983 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -119.29 149.1 42.35 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.859 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -97.08 13.11 30.25 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 122.177 -0.327 . . . . 0.0 110.673 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 m -139.92 136.89 34.34 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.97 0.908 . . . . 0.0 109.678 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.7 p -71.01 -34.58 3.55 Favored Pre-proline 0 CA--C 1.568 1.662 0 C-N-CA 123.729 0.811 . . . . 0.0 112.512 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 -36.21 78.08 Favored 'Trans proline' 0 C--N 1.395 3.021 0 CA-C-N 121.358 1.521 . . . . 0.0 111.825 165.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.05 88.3 Favored Glycine 0 C--N 1.36 1.89 0 O-C-N 123.649 0.593 . . . . 0.0 112.664 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.67 -49.84 76.16 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.474 1.11 . . . . 0.0 109.887 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 ' HA ' HD11 ' A' ' 76' ' ' ILE . 17.8 m -69.31 -24.11 63.89 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.766 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmp_? -62.17 -50.84 70.25 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.616 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.483 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 6.2 t-80 -69.97 -21.22 63.26 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 117.89 0.314 . . . . 0.0 111.13 -177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' A' ' 73' ' ' THR . 81.6 mt -66.74 -65.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.432 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -66.18 -13.52 60.37 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.547 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 85.0 tttt -91.9 -61.23 1.67 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.867 0.867 . . . . 0.0 111.233 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.547 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 75.4 m -138.41 11.21 2.76 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -167.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 6.1 m80 -145.49 52.71 1.66 Allowed Pre-proline 0 N--CA 1.492 1.644 0 C-N-CA 123.202 0.601 . . . . 0.0 111.034 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.454 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 40.3 Cg_endo -97.97 -156.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 0 C-N-CA 123.193 2.595 . . . . 0.0 111.613 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m 62.42 27.15 16.18 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.4 1.08 . . . . 0.0 110.405 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.23 63.19 7.07 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.097 0.959 . . . . 0.0 109.591 -173.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 170.87 -53.02 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 C-N-CA 126.958 2.103 . . . . 0.0 106.427 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 CA--C 1.561 1.387 0 C-N-CA 125.671 1.588 . . . . 0.0 109.9 178.099 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.99 48.46 1.07 Allowed Glycine 0 C--N 1.348 1.234 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -72.63 90.1 1.35 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.77 -64.11 1.1 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 57.25 19.05 4.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.801 1.24 . . . . 0.0 112.206 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -101.69 97.14 7.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.634 0.774 . . . . 0.0 110.096 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -143.36 95.59 2.78 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.077 0.951 . . . . 0.0 108.993 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -100.6 84.89 2.82 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 p -147.93 100.46 3.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.339 0.656 . . . . 0.0 110.883 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -86.19 -42.46 13.81 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttp -66.42 95.17 0.3 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.476 0.71 . . . . 0.0 110.676 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.31 45.77 0.3 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.726 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -102.57 136.95 41.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.813 0.845 . . . . 0.0 109.819 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.81 59.23 0.01 OUTLIER Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.702 -0.559 . . . . 0.0 111.702 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.48 126.83 30.82 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.86 136.47 4.32 Favored Glycine 0 C--O 1.241 0.541 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.114 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.92 79.66 1.2 Allowed 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.92 53.32 4.72 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.549 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.4 m -123.11 164.08 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.243 1.017 . . . . 0.0 109.75 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 pp -107.8 154.24 21.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.811 0.844 . . . . 0.0 109.716 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.11 38.23 0.08 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 112.576 -0.209 . . . . 0.0 112.576 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -148.48 149.66 32.05 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 t -63.02 -38.06 89.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.109 0.964 . . . . 0.0 110.709 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 37' ' ' SER . . . 69.52 167.15 0.28 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.615 1.566 . . . . 0.0 112.25 177.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 p -85.79 103.19 14.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.796 0.838 . . . . 0.0 111.211 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.19 -179.19 6.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.752 0.821 . . . . 0.0 111.553 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 77.85 -52.43 0.52 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.766 1.627 . . . . 0.0 112.636 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.31 -65.24 0.71 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.315 1.046 . . . . 0.0 113.042 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -140.41 141.1 35.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.08 0.952 . . . . 0.0 110.02 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 71.7 mt -134.9 138.62 44.28 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HA ' HE22 ' A' ' 44' ' ' GLN . 53.1 t -58.47 109.96 2.24 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 173.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.568 ' HD2' HD22 ' A' ' 48' ' ' LEU . 83.6 Cg_exo -48.89 -35.25 30.87 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 123.758 2.972 . . . . 0.0 115.039 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.9 -31.0 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.553 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 14.3 p -142.61 112.07 6.7 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.18 112.16 2.44 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.059 0.225 . . . . 0.0 112.777 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 9.0 tp10 -147.16 122.64 10.39 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.452 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 47.9 m -70.73 120.42 16.3 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.399 0.68 . . . . 0.0 112.517 -169.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -136.79 145.97 45.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.555 1.142 . . . . 0.0 109.908 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.31 -46.13 4.49 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.822 -0.806 . . . . 0.0 108.822 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -65.73 132.19 48.15 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.166 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 62.4 pttt -71.18 -24.94 62.33 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.152 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -38.18 74.43 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.376 0.423 . . . . 0.0 112.217 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.25 63.52 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.379 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.479 HE22 ' HA ' ' A' ' 31' ' ' CYS . 16.7 tp60 -59.05 -51.43 70.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.844 0.857 . . . . 0.0 110.658 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 9.0 mm-40 -76.01 -17.54 59.64 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.723 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -60.13 -52.34 65.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.558 0.743 . . . . 0.0 111.902 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -68.6 -31.14 70.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.568 HD22 ' HD2' ' A' ' 32' ' ' PRO . 59.0 mt -70.01 -37.81 75.77 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.27 -26.58 33.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.869 0.304 . . . . 0.0 110.718 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -96.94 -82.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.821 0.448 . . . . 0.0 111.682 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.94 2.11 56.18 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -166.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.553 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.1 m170 -138.69 37.65 2.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.883 0.849 . . . . 0.0 109.784 173.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.548 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -69.3 -14.2 62.81 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.146 177.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.19 64.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.443 1.097 . . . . 0.0 112.702 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -108.94 -14.75 14.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.85 0.46 . . . . 0.0 112.169 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 53' ' ' ALA . 32.0 m -98.45 149.53 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 72' ' ' LEU . 94.0 m-85 -133.4 83.91 48.17 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 123.963 0.905 . . . . 0.0 109.3 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 57.6 Cg_endo -70.35 124.12 10.54 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.549 2.166 . . . . 0.0 111.733 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.5 t -56.18 114.09 1.82 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -45.58 -34.21 3.24 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.055 1.342 . . . . 0.0 114.571 -164.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.26 -28.12 14.21 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.155 0.582 . . . . 0.0 112.295 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.8 p -133.85 138.41 30.77 Favored Pre-proline 0 N--CA 1.491 1.59 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -62.81 9.68 0.1 Allowed 'Trans proline' 0 N--CA 1.51 2.473 0 C-N-CA 123.938 3.092 . . . . 0.0 116.074 -172.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.91 97.39 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.636 0.774 . . . . 0.0 110.311 167.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.3 m -95.41 111.72 23.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.174 0.589 . . . . 0.0 110.591 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -94.79 123.35 38.19 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 110.146 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -82.16 47.86 1.18 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.1 p -158.6 136.29 10.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.16 0.584 . . . . 0.0 110.08 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 m -60.71 -47.37 96.12 Favored Pre-proline 0 CA--C 1.563 1.473 0 C-N-CA 123.601 0.76 . . . . 0.0 112.096 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.56 -40.05 19.35 Favored 'Trans proline' 0 C--N 1.387 2.603 0 CA-C-N 121.24 1.478 . . . . 0.0 112.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.74 -36.28 71.44 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.489 0.493 . . . . 0.0 114.149 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 57' ' ' PHE . 55.7 tp -58.89 -52.81 64.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.777 0.831 . . . . 0.0 110.351 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 m -65.33 -33.88 77.01 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.268 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.01 -39.65 90.42 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.484 0.714 . . . . 0.0 112.07 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -69.24 -57.52 5.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.5 mt -56.56 -35.22 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 124.215 1.006 . . . . 0.0 112.877 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -87.35 -48.19 8.19 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -92.57 -61.88 1.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -171.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 45.8 t -92.64 1.28 57.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.29 0.636 . . . . 0.0 111.954 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -152.92 47.37 0.38 Allowed Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 123.262 0.625 . . . . 0.0 109.62 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.25 -57.08 0.1 Allowed 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.858 2.372 . . . . 0.0 114.494 -163.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' A' ' 85' ' ' ARG . 38.8 m -104.15 85.79 2.44 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.352 0.661 . . . . 0.0 110.595 -171.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -71.88 0.58 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.267 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -106.76 2.64 25.8 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.585 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.415 ' HB3' ' HA ' ' A' ' 82' ' ' SER . 7.6 tpm_? . . . . . 0 CA--C 1.553 1.068 0 C-N-CA 123.468 0.707 . . . . 0.0 111.157 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtm . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.18 101.01 2.48 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -79.62 -61.7 1.92 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -175.66 -23.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.445 1.098 . . . . 0.0 111.167 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 m80 74.37 169.64 0.29 Allowed 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 125.562 1.545 . . . . 0.0 112.442 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -91.83 95.04 9.62 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.81 0.844 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -106.44 115.7 30.66 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.772 0.829 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.65 31.64 2.28 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.483 1.113 . . . . 0.0 109.308 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -63.92 120.23 11.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.514 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -163.79 146.64 9.72 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 108.797 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 72.9 151.36 0.11 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.901 1.28 . . . . 0.0 111.107 177.768 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.444 ' N ' ' SD ' ' A' ' 11' ' ' MET . . . 106.22 33.53 3.41 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-O 119.896 -0.391 . . . . 0.0 112.489 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.56 179.57 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.016 1.326 . . . . 0.0 111.472 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.34 54.27 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 111.46 3.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 109.326 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 72.41 1.94 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.63 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.83 137.09 57.89 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.527 0.731 . . . . 0.0 111.15 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 77.45 0.51 Allowed Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.048 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.42 161.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 123.759 0.824 . . . . 0.0 111.551 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.75 -179.81 7.05 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.667 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.3 14.18 24.78 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-O 119.556 -0.58 . . . . 0.0 113.437 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp 59.0 81.9 0.15 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.581 1.153 . . . . 0.0 110.983 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -91.69 107.93 19.55 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.191 0.596 . . . . 0.0 111.111 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.03 173.02 11.3 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.752 168.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 t -63.23 90.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.412 0.685 . . . . 0.0 110.562 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.8 151.84 28.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.637 0.775 . . . . 0.0 110.175 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -147.29 81.3 1.53 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.2 p -167.64 -178.16 3.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.086 0.954 . . . . 0.0 110.046 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.49 138.15 34.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.154 0.982 . . . . 0.0 109.774 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.0 mt -133.09 140.8 47.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.617 0.767 . . . . 0.0 109.986 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.6 t -80.99 100.51 0.7 Allowed Pre-proline 0 N--CA 1.479 0.989 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 166.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD2' HD23 ' A' ' 48' ' ' LEU . 24.4 Cg_endo -56.43 -19.54 29.33 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.366 2.711 . . . . 0.0 114.79 -169.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 t -82.03 -27.34 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 123.363 0.665 . . . . 0.0 111.453 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.6 129.22 20.3 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.015 0.526 . . . . 0.0 110.338 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 109.64 2.65 Favored Glycine 0 C--N 1.353 1.508 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -164.91 119.41 1.32 Allowed 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.059 0.943 . . . . 0.0 109.103 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.5 p -79.69 143.01 34.98 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.584 0.754 . . . . 0.0 110.704 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.98 131.72 27.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.508 1.123 . . . . 0.0 109.43 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.05 15.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -81.93 157.05 24.45 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.084 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -74.18 -54.45 7.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.889 0.876 . . . . 0.0 110.027 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.37 -28.76 67.7 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 124.248 0.968 . . . . 0.0 113.556 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.53 88.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.648 0.779 . . . . 0.0 111.078 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -65.77 -50.19 65.64 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.31 0.644 . . . . 0.0 110.316 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.533 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -30.05 63.15 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.435 0.459 . . . . 0.0 110.864 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.427 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -70.04 -21.36 63.19 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.579 178.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD23 ' HD2' ' A' ' 32' ' ' PRO . 97.9 mt -87.53 -65.46 1.01 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.657 0.783 . . . . 0.0 110.919 171.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -53.6 -43.58 68.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.439 1.495 . . . . 0.0 111.445 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.56 -70.36 0.58 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.758 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.7 -68.78 0.65 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.03 0.532 . . . . 0.0 112.014 -167.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -90.8 61.33 4.72 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.504 1.122 . . . . 0.0 111.383 -171.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -96.76 1.27 50.65 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.423 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -21.19 55.77 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.847 0.459 . . . . 0.0 111.578 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -109.61 -10.95 14.82 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.13 0.572 . . . . 0.0 111.869 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.602 HG22 ' HA ' ' A' ' 53' ' ' ALA . 20.2 m -111.18 155.64 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 121.246 0.545 . . . . 0.0 109.724 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.12 84.58 47.77 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 109.556 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 65.6 Cg_endo -73.34 116.03 4.55 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.364 2.042 . . . . 0.0 111.339 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 37.9 t -60.14 102.54 0.17 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -40.02 -50.23 2.55 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -151.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -84.39 -10.66 57.35 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 -164.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 64' ' ' ALA . 15.6 p -131.36 161.6 61.02 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.192 0.997 . . . . 0.0 109.509 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -77.5 -0.27 10.46 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.338 2.025 . . . . 0.0 114.005 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . . . -64.66 97.98 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.955 0.902 . . . . 0.0 110.728 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.0 m -103.03 139.38 38.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.806 0.842 . . . . 0.0 110.034 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -126.28 149.59 49.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.089 0.956 . . . . 0.0 109.578 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -91.52 18.03 7.88 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.987 0.515 . . . . 0.0 110.835 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' A' ' 70' ' ' PRO . 50.2 m -147.78 136.43 21.79 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.841 0.856 . . . . 0.0 109.762 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 22.9 t -67.52 -35.59 8.56 Favored Pre-proline 0 CA--C 1.566 1.566 0 C-N-CA 123.911 0.885 . . . . 0.0 112.144 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.433 ' HG2' ' HB3' ' A' ' 68' ' ' SER . 7.2 Cg_endo -51.59 -52.84 8.14 Favored 'Trans proline' 0 C--N 1.403 3.431 0 C-N-CA 122.182 1.921 . . . . 0.0 111.693 165.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.37 -35.76 89.33 Favored Glycine 0 C--N 1.358 1.759 0 O-C-N 123.883 0.739 . . . . 0.0 113.67 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 tp -54.09 -55.32 28.63 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -75.01 -24.69 58.43 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.831 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -61.28 -38.72 87.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.982 0.513 . . . . 0.0 111.444 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.8 t-80 -65.24 -38.83 91.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.1 mt -58.94 -62.96 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.359 1.064 . . . . 0.0 111.024 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -67.54 -32.15 72.73 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.673 0.789 . . . . 0.0 112.747 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.669 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 34.8 ttpt -90.19 -59.59 2.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.324 0.649 . . . . 0.0 111.978 -172.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.669 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 80.6 m -142.21 42.95 1.66 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 4.0 t60 -139.27 76.1 32.57 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.58 20.1 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.244 2.629 . . . . 0.0 114.062 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.4 p -93.51 -2.49 54.3 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.007 0.523 . . . . 0.0 112.193 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -109.15 23.71 14.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.428 0.691 . . . . 0.0 111.681 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -70.65 -45.42 65.18 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 0.0 110.433 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 123.855 0.862 . . . . 0.0 108.693 178.064 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.518 0.199 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.78 -104.05 1.84 Allowed Glycine 0 C--N 1.341 0.843 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -172.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 68.31 143.7 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.063 1.345 . . . . 0.0 112.465 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -68.49 103.52 1.69 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.232 0.613 . . . . 0.0 110.876 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -76.51 88.73 3.25 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -147.63 110.68 4.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.395 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -104.02 140.92 37.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.646 1.179 . . . . 0.0 110.179 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -100.07 163.25 12.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.985 0.914 . . . . 0.0 109.59 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.4 t -88.65 146.42 25.09 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -164.61 118.75 1.36 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.429 0.691 . . . . 0.0 110.089 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.93 154.43 20.83 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.912 0.485 . . . . 0.0 109.943 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.56 80.15 0.05 OUTLIER Glycine 0 C--N 1.342 0.91 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -113.82 140.42 48.34 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.639 0.776 . . . . 0.0 110.038 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.92 111.66 2.15 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.68 0.613 . . . . 0.0 112.363 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -86.91 125.78 34.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.439 0.696 . . . . 0.0 109.721 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.61 154.31 21.27 Favored Glycine 0 C--N 1.341 0.847 0 O-C-N 123.118 0.261 . . . . 0.0 113.147 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.38 96.91 2.09 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.444 1.098 . . . . 0.0 109.317 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.88 158.51 27.16 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.348 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.4 167.42 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.31 0.644 . . . . 0.0 111.769 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -115.42 -179.77 3.74 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.994 0.918 . . . . 0.0 109.813 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.04 123.21 4.22 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.014 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.21 179.15 5.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.519 0.728 . . . . 0.0 111.113 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -140.13 156.14 46.68 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.116 0.966 . . . . 0.0 109.726 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.76 93.19 0.06 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.746 1.218 . . . . 0.0 111.846 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -122.52 166.63 14.49 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.916 0.886 . . . . 0.0 109.791 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.9 173.71 7.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.509 0.724 . . . . 0.0 111.487 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -90.6 104.69 17.24 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.217 1.007 . . . . 0.0 110.498 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -120.0 167.25 12.36 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.84 0.856 . . . . 0.0 109.731 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -94.18 115.09 27.32 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.32 137.17 40.92 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.823 0.449 . . . . 0.0 110.3 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 20.2 t -55.53 108.59 1.22 Allowed Pre-proline 0 N--CA 1.483 1.177 0 C-N-CA 123.736 0.814 . . . . 0.0 108.822 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HD2' HD13 ' A' ' 48' ' ' LEU . 20.4 Cg_endo -57.09 -3.16 0.65 Allowed 'Trans proline' 0 N--CA 1.506 2.213 0 C-N-CA 123.943 3.095 . . . . 0.0 116.886 -166.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.46 -13.82 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-N 118.293 0.497 . . . . 0.0 111.493 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 28.0 p -144.07 125.62 14.93 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.595 0.758 . . . . 0.0 109.874 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.81 2.13 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -170.91 97.6 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -164.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 p -77.09 136.51 38.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.651 0.78 . . . . 0.0 112.618 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -131.76 148.59 52.58 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.259 1.024 . . . . 0.0 109.399 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.96 -29.85 62.21 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.229 0.612 . . . . 0.0 110.931 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -117.57 156.66 27.71 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.807 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.34 -22.68 47.66 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.99 -41.67 99.68 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 121.239 0.355 . . . . 0.0 112.662 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.77 -18.59 59.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.772 0.829 . . . . 0.0 111.142 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -78.96 -51.01 10.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.437 0.695 . . . . 0.0 110.749 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 48' ' ' LEU . 23.3 mm-40 -68.91 -23.32 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.949 -173.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -39.03 76.43 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.117 0.261 . . . . 0.0 110.886 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 5.5 t-80 -66.46 -26.03 67.0 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.441 0.639 . . . . 0.0 109.829 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 45' ' ' GLU . 71.0 mt -74.46 -65.6 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.48 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -19.45 63.04 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -79.13 -76.06 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.564 0.346 . . . . 0.0 110.683 171.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.0 mt -100.79 -52.93 3.19 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.042 0.537 . . . . 0.0 111.816 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.544 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 31.3 m170 -87.25 47.61 1.53 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.293 1.037 . . . . 0.0 112.501 -169.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.538 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -91.16 4.14 52.99 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.79 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.33 71.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.37 0.268 . . . . 0.0 111.32 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -82.18 -29.25 31.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.874 0.469 . . . . 0.0 111.826 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 53' ' ' ALA . 32.1 m -103.82 159.02 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.611 0.719 . . . . 0.0 112.24 -176.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.545 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 92.4 m-85 -132.68 85.33 47.65 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.282 1.033 . . . . 0.0 109.779 -172.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.93 117.41 4.91 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.591 2.194 . . . . 0.0 112.532 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.7 t -67.91 99.07 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 165.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' HZ2' ' HB2' ' A' ' 60' ' ' LYS . 7.7 mtmp? -62.89 -26.45 68.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -151.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.45 -23.31 65.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.715 0.806 . . . . 0.0 111.187 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.424 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.0 p -124.42 137.79 29.85 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.395 1.078 . . . . 0.0 108.963 175.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.65 76.87 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 122.345 2.03 . . . . 0.0 111.486 171.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.08 107.33 4.04 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.113 0.965 . . . . 0.0 109.657 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 p -93.01 140.73 29.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.659 0.742 . . . . 0.0 111.598 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.03 168.46 9.41 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.308 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -116.86 6.32 13.1 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.297 0.57 . . . . 0.0 109.926 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.8 p -133.33 139.25 46.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.312 1.045 . . . . 0.0 110.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 15.8 m -62.59 -39.99 60.37 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.453 176.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 69' ' ' SER . 13.5 Cg_endo -56.25 -45.6 36.7 Favored 'Trans proline' 0 C--N 1.407 3.606 0 C-N-CA 122.572 2.181 . . . . 0.0 112.028 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.09 -38.5 93.14 Favored Glycine 0 C--N 1.357 1.743 0 O-C-N 123.452 0.47 . . . . 0.0 113.268 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.0 tp -54.94 -55.91 25.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.367 1.067 . . . . 0.0 110.867 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -68.45 -26.02 65.29 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.527 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -72.11 -39.03 69.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.122 0.569 . . . . 0.0 111.479 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -72.99 -22.34 60.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.29 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.58 -66.98 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -45.4 -41.89 9.66 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.679 1.191 . . . . 0.0 113.326 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -92.62 -60.01 1.93 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.975 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -101.7 -15.72 16.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -161.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.424 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 5.8 m80 -140.78 54.11 4.43 Favored Pre-proline 0 N--CA 1.483 1.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.717 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.86 86.24 1.53 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.315 2.677 . . . . 0.0 114.368 -159.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m 53.76 84.68 0.06 Allowed 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -67.77 -2.22 6.74 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.934 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -89.72 82.54 6.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.102 0.961 . . . . 0.0 109.125 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 . . . . . 0 CA--C 1.567 1.633 0 C-N-CA 124.557 1.143 . . . . 0.0 111.257 178.144 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.74 170.97 44.05 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.575 0.547 . . . . 0.0 112.667 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -131.91 127.66 36.9 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.155 0.982 . . . . 0.0 109.335 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -135.25 116.76 14.77 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.941 0.896 . . . . 0.0 109.232 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -84.5 136.66 33.73 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -108.27 72.54 0.84 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -124.1 124.51 42.67 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.398 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m170 62.97 93.79 0.05 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.699 1.199 . . . . 0.0 110.237 -167.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -87.13 160.18 18.63 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.695 0.798 . . . . 0.0 111.099 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -75.27 80.83 2.38 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.303 0.641 . . . . 0.0 109.772 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -149.68 69.4 1.03 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.803 1.287 . . . . 0.0 108.242 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.5 125.44 3.99 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.88 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -150.62 119.53 6.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 108.225 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.38 72.14 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -74.97 143.58 43.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.458 0.703 . . . . 0.0 110.415 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.17 -145.72 14.54 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.86 146.81 3.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.718 1.207 . . . . 0.0 109.114 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.27 173.51 14.89 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.2 m -79.64 -175.85 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.216 0.606 . . . . 0.0 110.065 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD13 ' H ' ' A' ' 20' ' ' LEU . 4.8 mp -67.38 110.33 3.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 176.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.4 77.27 0.89 Allowed Glycine 0 C--N 1.345 1.037 0 O-C-N 123.76 0.663 . . . . 0.0 112.623 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.67 -46.91 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.2 p -89.36 82.61 6.46 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.887 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.12 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.798 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 p -65.52 97.5 0.31 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.526 0.73 . . . . 0.0 109.953 173.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.542 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -141.13 176.07 9.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 0.0 110.697 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 55.3 mt-10 -121.07 -78.53 0.6 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.725 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -148.72 -69.7 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.278 0.631 . . . . 0.0 110.008 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -82.87 116.25 22.1 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 26' ' ' ALA . 48.9 mt -118.11 127.64 53.97 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 13.7 t -55.51 107.43 0.88 Allowed Pre-proline 0 N--CA 1.484 1.234 0 O-C-N 124.141 0.901 . . . . 0.0 109.232 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' HD2' HD23 ' A' ' 48' ' ' LEU . 65.2 Cg_exo -46.46 -26.85 4.48 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.772 2.981 . . . . 0.0 116.014 -174.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 55' ' ' GLN . 6.6 t -84.78 -21.19 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.427 0 C-N-CA 123.046 0.538 . . . . 0.0 111.641 -177.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.489 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 19.9 p -152.0 119.02 5.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.466 0.706 . . . . 0.0 109.551 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.94 2.21 Favored Glycine 0 C--N 1.363 2.048 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 121.74 6.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -167.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 21.4 m -66.61 122.73 18.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.294 0.996 . . . . 0.0 111.968 -170.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -136.8 136.9 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 0.0 108.812 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.67 23.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.326 0.65 . . . . 0.0 110.457 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -99.92 152.37 20.24 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.016 0.927 . . . . 0.0 111.538 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.82 -51.17 35.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.016 0.926 . . . . 0.0 110.592 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.89 -21.63 67.76 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.266 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.6 -35.83 70.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.364 0.666 . . . . 0.0 110.729 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.52 -48.47 72.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.237 170.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.3 -27.92 66.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.463 -173.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -69.93 -32.47 70.76 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 118.17 0.441 . . . . 0.0 110.513 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -69.36 -39.42 78.1 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.326 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 32' ' ' PRO . 92.4 mt -70.38 -38.4 74.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.076 0.95 . . . . 0.0 112.068 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -39.29 23.89 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.098 0.559 . . . . 0.0 110.65 -172.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.2 -59.02 1.8 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.59 0.756 . . . . 0.0 111.574 -172.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.53 -7.55 25.77 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -165.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.489 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -147.88 37.1 0.87 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.984 -175.309 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.18 85.95 3.64 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.058 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.2 -56.33 0.09 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.689 0.796 . . . . 0.0 109.988 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 33' ' ' VAL . 84.7 mm-40 -90.79 -0.73 57.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.994 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG12 ' HB3' ' A' ' 48' ' ' LEU . 32.2 m -109.44 145.81 15.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.607 0.763 . . . . 0.0 109.68 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 88.5 m-85 -133.16 82.52 53.67 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 124.22 1.008 . . . . 0.0 110.181 -172.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 80.3 Cg_endo -78.32 116.3 3.86 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.8 2.333 . . . . 0.0 111.766 176.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.5 t -57.84 109.58 0.75 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -32.44 -46.65 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -159.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -84.85 -8.63 58.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.506 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 28.1 p -133.52 153.13 80.19 Favored Pre-proline 0 N--CA 1.482 1.169 0 C-N-CA 123.154 0.582 . . . . 0.0 110.449 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.57 9.05 2.36 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.798 2.332 . . . . 0.0 113.341 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.445 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -61.63 93.66 0.04 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.875 0.87 . . . . 0.0 109.682 171.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 45.7 m -92.14 113.41 25.67 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.191 -177.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.47 167.25 12.74 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.107 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -121.8 25.45 9.2 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -144.12 135.73 25.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.498 1.119 . . . . 0.0 108.844 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -64.61 -41.18 55.82 Favored Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 124.032 0.933 . . . . 0.0 111.864 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.76 -51.56 10.84 Favored 'Trans proline' 0 C--N 1.405 3.509 0 C-N-CA 122.367 2.044 . . . . 0.0 111.789 167.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.32 87.93 Favored Glycine 0 C--N 1.359 1.859 0 O-C-N 123.71 0.631 . . . . 0.0 113.554 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.9 tp -54.12 -57.07 12.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.603 1.161 . . . . 0.0 110.903 173.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -72.89 -22.85 60.69 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.171 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.85 -51.66 66.14 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.021 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 t-80 -66.68 -21.95 66.09 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 118.222 0.465 . . . . 0.0 110.698 -176.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.9 mt -70.77 -57.35 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.042 0.937 . . . . 0.0 110.626 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -71.34 -16.57 62.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.981 0.512 . . . . 0.0 111.31 -176.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -90.23 -51.15 5.59 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.161 0.985 . . . . 0.0 110.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.9 t -147.08 4.18 0.82 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.506 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 3.4 m170 -145.41 73.73 14.12 Favored Pre-proline 0 N--CA 1.493 1.687 0 CA-C-N 119.181 0.9 . . . . 0.0 112.441 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -88.62 -149.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 123.552 2.834 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.1 t 68.25 21.1 8.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.052 0.941 . . . . 0.0 111.5 175.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.44 174.26 8.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.892 0.877 . . . . 0.0 110.427 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -83.96 -59.86 2.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 . . . . . 0 C--O 1.254 1.297 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.496 176.633 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.595 0.236 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 58.17 4.97 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.249 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -70.6 88.85 0.7 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.573 0.749 . . . . 0.0 109.626 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -103.67 104.09 14.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.686 0.794 . . . . 0.0 110.185 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -144.2 108.55 4.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.91 0.884 . . . . 0.0 109.764 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -122.86 96.16 4.91 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -103.14 100.87 10.8 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -131.69 128.08 38.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 109.426 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.4 p -85.13 -173.09 4.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.964 0.906 . . . . 0.0 111.046 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -143.65 144.7 32.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 109.405 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -124.57 125.83 44.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.517 0.727 . . . . 0.0 109.506 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.38 148.99 20.96 Favored Glycine 0 C--N 1.341 0.859 0 O-C-N 123.475 0.485 . . . . 0.0 112.076 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.24 -174.48 4.67 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.867 0.867 . . . . 0.0 109.829 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.72 133.96 1.85 Allowed Glycine 0 C--N 1.342 0.911 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -88.32 161.66 17.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 110.644 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.96 164.61 17.13 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.724 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.77 143.94 24.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.313 0.645 . . . . 0.0 110.382 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.51 117.89 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.41 156.5 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 123.995 0.918 . . . . 0.0 109.571 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -77.23 135.41 38.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.937 0.495 . . . . 0.0 110.097 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.9 92.17 1.78 Allowed Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.221 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.12 121.31 25.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.85 0.46 . . . . 0.0 109.878 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -115.52 96.41 5.62 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.44 91.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.065 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.3 m -80.67 84.96 6.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.028 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.24 89.13 6.5 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.366 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' HG2' ' SG ' ' A' ' 28' ' ' CYS . 36.8 tt0 -161.64 139.46 9.03 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.781 0.832 . . . . 0.0 109.283 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' SG ' ' HG2' ' A' ' 27' ' ' GLU . 61.3 m 73.36 178.26 0.23 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.79 1.236 . . . . 0.0 111.209 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -73.22 119.51 17.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.32 0.581 . . . . 0.0 110.631 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.1 145.47 28.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.149 0.98 . . . . 0.0 109.075 -174.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.2 t -56.04 101.47 0.26 Allowed Pre-proline 0 N--CA 1.485 1.302 0 O-C-N 123.908 0.755 . . . . 0.0 109.255 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' HD11 ' A' ' 48' ' ' LEU . 40.5 Cg_endo -62.05 -1.62 2.4 Favored 'Trans proline' 0 C--N 1.375 1.921 0 C-N-CA 123.79 2.993 . . . . 0.0 116.759 -159.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 20.8 t -103.27 -31.38 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 CA-C-N 118.588 0.631 . . . . 0.0 111.23 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.2 p -125.28 131.36 53.1 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 122.985 0.514 . . . . 0.0 110.037 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.19 110.46 2.71 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -175.81 93.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -164.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 p -76.81 140.51 40.72 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.04 0.936 . . . . 0.0 112.725 -172.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -138.04 136.33 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.456 1.102 . . . . 0.0 110.512 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.97 -33.47 33.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.793 0.837 . . . . 0.0 110.226 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.4 t -91.29 140.06 30.15 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.54 0.736 . . . . 0.0 110.194 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -61.74 -48.29 81.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.658 0.783 . . . . 0.0 110.243 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.75 77.36 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.97 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.31 68.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.238 0.615 . . . . 0.0 111.104 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -70.65 -48.82 53.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.962 0.505 . . . . 0.0 110.233 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.09 -38.69 89.78 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.712 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -68.59 -26.55 65.43 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.533 0.52 . . . . 0.0 111.782 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.463 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.8 t-80 -68.91 -50.13 52.18 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD11 ' HD2' ' A' ' 32' ' ' PRO . 97.1 mt -59.98 -34.11 72.85 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.996 0.918 . . . . 0.0 112.168 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -80.31 -38.06 31.44 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.808 0.843 . . . . 0.0 109.575 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.52 -71.36 0.76 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.299 0.64 . . . . 0.0 111.418 -171.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -89.9 0.54 57.0 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.285 0.634 . . . . 0.0 112.28 -166.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.517 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -140.32 26.9 2.15 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.116 0.966 . . . . 0.0 108.935 -179.392 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.14 81.57 1.28 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.218 1.007 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.24 -46.91 0.07 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.694 0.798 . . . . 0.0 110.113 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -89.14 0.85 56.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.416 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 48' ' ' LEU . 28.4 m -105.79 150.22 8.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 123.375 0.67 . . . . 0.0 110.795 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.602 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.9 m-85 -129.93 88.72 47.99 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.102 1.361 . . . . 0.0 109.46 -177.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 86.1 Cg_endo -79.58 131.84 9.6 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.18 2.586 . . . . 0.0 113.232 -178.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.0 t -69.97 107.37 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -56.08 -27.58 54.18 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.605 1.562 . . . . 0.0 114.117 -162.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.01 -19.49 31.94 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.291 0.636 . . . . 0.0 112.021 -170.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.551 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.0 p -132.51 157.46 78.24 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.85 0.86 . . . . 0.0 109.805 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.51 67.53 7.79 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.362 2.041 . . . . 0.0 111.365 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.81 94.7 3.79 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.419 1.088 . . . . 0.0 108.737 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 38.6 m -92.34 111.57 23.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.531 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.03 151.7 21.53 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -89.16 -10.99 45.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.106 0.562 . . . . 0.0 110.33 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.3 m -130.86 145.93 52.14 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.591 0.756 . . . . 0.0 110.578 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.7 p -69.2 -30.68 2.33 Favored Pre-proline 0 CA--C 1.571 1.767 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.98 -51.83 9.38 Favored 'Trans proline' 0 C--N 1.402 3.374 0 CA-C-N 122.083 1.78 . . . . 0.0 111.993 170.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.89 -31.5 72.29 Favored Glycine 0 C--N 1.359 1.852 0 O-C-N 123.98 0.8 . . . . 0.0 113.509 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.602 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -56.75 -57.6 11.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.829 0.852 . . . . 0.0 110.479 172.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -68.02 -30.35 69.57 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.117 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.58 -37.22 79.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.436 0.694 . . . . 0.0 111.073 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.1 t-80 -69.37 -26.45 64.67 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.076 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.41 -64.07 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -55.88 -35.22 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.09 0.956 . . . . 0.0 112.65 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -93.47 -60.57 1.74 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.439 0.696 . . . . 0.0 112.343 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.0 t -118.61 9.05 12.1 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -161.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.551 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -152.18 47.04 0.38 Allowed Pre-proline 0 CA--C 1.561 1.375 0 C-N-CA 123.597 0.759 . . . . 0.0 111.237 174.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 58.5 Cg_endo -95.86 164.83 1.36 Allowed 'Trans proline' 0 C--N 1.393 2.912 0 C-N-CA 122.626 2.217 . . . . 0.0 113.082 -177.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t 58.43 54.18 5.76 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.444 1.098 . . . . 0.0 110.582 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.04 -42.12 69.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 92.47 0.84 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.86 0.838 . . . . 0.0 110.783 177.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 . . . . . 0 C--O 1.251 1.165 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 175.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.63 163.52 10.23 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.33 109.04 2.97 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -86.25 -64.01 1.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -109.15 111.43 23.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -150.68 -20.92 0.23 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.9 m80 65.24 172.9 0.21 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.54 1.136 . . . . 0.0 111.66 -171.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -84.96 117.5 23.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -72.55 151.9 42.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.803 0.841 . . . . 0.0 112.37 -174.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -109.25 144.6 37.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.247 1.019 . . . . 0.0 109.283 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.6 mtp -77.26 96.99 4.7 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.25 -32.65 81.46 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 123.497 0.498 . . . . 0.0 112.976 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.8 115.04 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.865 1.666 . . . . 0.0 111.976 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.72 130.84 1.23 Allowed Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.201 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -84.83 106.52 16.42 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.4 69.15 3.39 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.19 0.306 . . . . 0.0 112.432 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.66 76.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.739 0.815 . . . . 0.0 111.326 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.93 56.47 0.02 OUTLIER Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.943 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 170.74 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.591 0.757 . . . . 0.0 110.841 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pp -148.95 167.38 25.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.745 0.818 . . . . 0.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.1 31.56 4.45 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.31 144.23 34.45 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.678 0.791 . . . . 0.0 109.418 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 t 82.43 -51.8 0.2 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 126.016 1.727 . . . . 0.0 111.31 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.53 91.62 6.94 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 m -141.15 150.95 43.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.841 0.856 . . . . 0.0 110.218 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.26 163.05 17.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.383 0.673 . . . . 0.0 110.584 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.22 103.74 2.9 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.427 0.691 . . . . 0.0 110.286 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.418 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 18.8 m -111.84 167.29 10.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -71.68 128.51 36.03 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.046 0.45 . . . . 0.0 111.345 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.7 mt -90.23 141.74 28.41 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.958 0.903 . . . . 0.0 110.866 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -65.93 111.87 7.5 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 166.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HD2' HD21 ' A' ' 48' ' ' LEU . 89.4 Cg_endo -72.8 26.3 0.29 Allowed 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 123.067 2.511 . . . . 0.0 114.939 -169.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.12 -16.78 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 C-N-CA 124.138 0.975 . . . . 0.0 110.138 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.707 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 31.1 p -147.12 141.05 25.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.287 0.635 . . . . 0.0 111.131 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.74 109.65 2.9 Favored Glycine 0 C--N 1.357 1.729 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -177.27 108.18 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -162.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.418 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 7.4 t -102.49 136.34 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.52 0.728 . . . . 0.0 111.184 -169.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.77 136.46 42.62 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.567 1.147 . . . . 0.0 110.154 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.46 75.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.849 0.86 . . . . 0.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 m -103.29 126.67 50.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -69.97 -16.03 63.13 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.327 0.651 . . . . 0.0 111.841 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -36.72 90.4 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.03 -21.27 60.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.784 0.833 . . . . 0.0 111.085 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.44 -42.19 17.24 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.154 0.982 . . . . 0.0 110.459 177.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -69.63 -33.31 72.45 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.452 1.101 . . . . 0.0 111.056 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 13.4 ptm180 -65.91 -32.79 74.5 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.7 91.97 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.8 mt -68.34 -51.35 45.47 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.728 0.643 . . . . 0.0 112.135 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 40.0 ptt180 -75.06 -20.81 59.36 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.77 -77.7 0.59 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.83 0.452 . . . . 0.0 110.781 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.32 -3.37 55.22 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.707 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -147.47 34.26 0.87 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.653 0.781 . . . . 0.0 111.613 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 73.31 8.17 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.825 0.85 . . . . 0.0 110.204 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.65 -49.54 0.16 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 110.207 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -85.46 -26.6 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.854 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG13 ' HB3' ' A' ' 48' ' ' LEU . 33.0 m -88.52 143.26 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 122.61 0.364 . . . . 0.0 110.257 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.446 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.0 m-85 -126.5 84.41 62.44 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.326 1.05 . . . . 0.0 109.606 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.4 Cg_endo -73.15 126.66 11.32 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.465 2.11 . . . . 0.0 111.493 177.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.541 ' HA ' HD11 ' A' ' 72' ' ' LEU . 36.1 t -52.68 103.1 0.06 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.735 0.814 . . . . 0.0 109.298 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -46.07 -30.76 1.99 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -159.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . 49.9 m-85 -84.23 -36.64 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 0.0 111.595 -177.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.82 139.25 31.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 C-N-CA 122.951 0.5 . . . . 0.0 110.681 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -63.14 6.73 0.2 Allowed 'Trans proline' 0 N--CA 1.511 2.52 0 C-N-CA 123.99 3.127 . . . . 0.0 115.791 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.42 103.81 0.12 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.882 0.873 . . . . 0.0 110.521 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 46.5 m -91.89 117.65 29.99 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 111.184 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -99.78 168.91 9.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.354 1.061 . . . . 0.0 109.997 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -123.28 16.39 9.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.137 0.975 . . . . 0.0 109.998 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 m -147.42 145.32 29.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.916 0.886 . . . . 0.0 109.114 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -63.0 -43.83 83.25 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.859 0.863 . . . . 0.0 112.297 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.14 -25.58 72.88 Favored 'Trans proline' 0 C--N 1.393 2.912 0 CA-C-N 121.106 1.431 . . . . 0.0 112.595 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -43.44 85.26 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.517 0.511 . . . . 0.0 112.237 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.541 HD11 ' HA ' ' A' ' 59' ' ' CYS . 45.4 tp -58.7 -50.41 74.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.916 1.286 . . . . 0.0 110.586 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -65.6 -47.2 76.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.504 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -61.73 -30.64 70.91 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.855 -167.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.459 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.9 t-80 -64.74 -40.65 95.68 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.622 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 53.9 mt -66.72 -35.95 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 124.2 1.0 . . . . 0.0 110.997 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -84.18 -36.68 22.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.899 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 53.3 tttm -91.85 -58.78 2.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.692 0.797 . . . . 0.0 111.566 -169.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 74.6 m -128.56 24.29 5.81 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.465 0.706 . . . . 0.0 112.436 -168.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.622 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.8 t-160 -150.01 52.54 1.08 Allowed Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.785 0.434 . . . . 0.0 110.781 173.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.95 -31.23 12.83 Favored 'Trans proline' 0 C--N 1.392 2.821 0 C-N-CA 121.845 1.697 . . . . 0.0 111.225 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.1 m -83.41 79.37 9.44 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.8 89.12 0.39 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.275 1.03 . . . . 0.0 111.722 -170.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.504 ' HB2' ' HB3' ' A' ' 61' ' ' TYR . 54.5 t30 60.3 97.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.256 1.422 . . . . 0.0 112.213 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 . . . . . 0 C--O 1.248 1.018 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.519 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.28 25.21 71.35 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 123.658 0.599 . . . . 0.0 113.209 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.23 91.05 1.27 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.542 0.737 . . . . 0.0 109.738 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -113.83 172.62 6.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.03 0.932 . . . . 0.0 109.107 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -155.67 135.91 13.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.984 0.514 . . . . 0.0 110.23 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -129.37 75.7 1.67 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 173.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -146.66 60.42 1.21 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.957 0.903 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -150.64 77.6 1.29 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.408 174.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 p -94.02 66.76 3.61 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.976 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -94.69 96.03 9.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.987 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.9 ptm -114.63 178.42 4.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.987 0.915 . . . . 0.0 109.232 173.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.36 117.94 0.8 Allowed Glycine 0 C--N 1.339 0.709 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.8 171.6 14.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 117.22 0.51 . . . . 0.0 110.287 175.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.89 164.21 30.36 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.422 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.68 110.41 4.72 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.52 83.37 0.17 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 123.415 0.447 . . . . 0.0 112.355 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.59 -166.45 1.08 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.944 0.898 . . . . 0.0 110.002 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.5 30.1 2.52 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 122.996 0.331 . . . . 0.0 112.282 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 33' ' ' VAL . 32.9 m -93.88 167.89 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.862 0.865 . . . . 0.0 110.688 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -126.71 96.08 4.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.54 0.736 . . . . 0.0 110.638 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.66 86.19 0.46 Allowed Glycine 0 C--N 1.344 0.983 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.76 -29.87 62.46 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.747 0.819 . . . . 0.0 111.522 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 p -150.29 -53.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.366 0.666 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.94 33.86 23.94 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.364 1.066 . . . . 0.0 111.785 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -101.09 13.05 36.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.949 0.9 . . . . 0.0 111.409 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.02 137.99 55.5 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.179 0.591 . . . . 0.0 110.441 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -80.21 74.1 7.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.626 0.727 . . . . 0.0 109.764 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m -162.72 164.07 26.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.402 1.481 . . . . 0.0 108.735 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -73.73 114.86 12.47 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 45.7 mt -97.7 128.48 44.41 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.035 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 1.6 t -54.21 94.89 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.769 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -24.34 -48.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 1 C-N-CA 126.185 4.59 . . . . 0.0 116.805 -155.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 19' ' ' VAL . 8.6 t -71.72 -50.13 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.002 -175.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.95 133.86 49.99 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 122.191 -0.318 . . . . 0.0 110.564 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.95 110.38 3.41 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 172.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -154.46 121.71 5.68 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -79.93 113.38 18.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.224 0.61 . . . . 0.0 110.769 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -120.6 125.55 48.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 108.897 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.51 -36.75 52.23 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -86.28 119.23 26.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.51 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.37 -28.34 68.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.248 0.619 . . . . 0.0 111.312 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -37.26 93.64 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-O 120.985 0.214 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -23.51 61.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.413 0.685 . . . . 0.0 111.303 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.04 -44.61 68.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.792 0.837 . . . . 0.0 110.471 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.94 -40.59 91.51 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.774 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -68.36 -32.96 73.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.095 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.548 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t-80 -66.54 -26.63 67.23 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 120.934 0.397 . . . . 0.0 110.505 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.55 -64.88 0.79 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.193 171.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -59.95 -21.37 61.1 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 123.201 0.6 . . . . 0.0 112.345 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.65 -78.78 0.14 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.696 0.798 . . . . 0.0 111.088 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.05 -45.64 6.18 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.966 0.506 . . . . 0.0 111.83 -172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -92.92 38.35 1.03 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.108 0.956 . . . . 0.0 111.685 -170.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -89.62 5.38 45.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.24 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.89 -39.44 30.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.43 -38.82 23.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.831 0.453 . . . . 0.0 111.368 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -87.2 151.69 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.345 0.403 . . . . 0.0 110.122 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.28 88.45 45.7 Favored Pre-proline 0 N--CA 1.482 1.17 0 C-N-CA 123.966 0.906 . . . . 0.0 109.84 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 146.22 49.27 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.541 2.161 . . . . 0.0 112.338 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' HD1' ' A' ' 61' ' ' TYR . 44.8 t -68.23 103.42 1.57 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 170.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 14.95 0.82 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -162.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.444 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.3 m-85 -114.12 -34.44 5.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.334 1.054 . . . . 0.0 109.065 -172.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -131.98 143.53 49.39 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.502 1.121 . . . . 0.0 108.44 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.58 87.94 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.556 2.17 . . . . 0.0 112.471 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.18 105.32 2.11 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.713 1.205 . . . . 0.0 108.711 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m -91.53 123.86 35.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.288 0.635 . . . . 0.0 110.542 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.62 151.96 24.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -81.15 -21.65 39.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.819 0.448 . . . . 0.0 111.284 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -142.64 159.98 41.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.084 0.554 . . . . 0.0 111.652 -170.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -60.82 -42.17 86.0 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.744 1.218 . . . . 0.0 112.886 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -51.07 -45.82 34.49 Favored 'Trans proline' 0 C--N 1.4 3.248 0 C-N-CA 122.182 1.921 . . . . 0.0 112.778 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.89 94.53 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.427 0.454 . . . . 0.0 112.662 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.37 -52.4 65.51 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.244 1.018 . . . . 0.0 110.176 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m -67.88 -26.93 66.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.93 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -60.73 -41.31 95.08 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 123.242 0.617 . . . . 0.0 111.641 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.76 -46.32 72.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.67 -30.42 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.686 1.194 . . . . 0.0 111.27 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.55 -41.82 13.19 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.329 0.652 . . . . 0.0 112.248 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -90.81 -63.09 1.32 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.269 0.628 . . . . 0.0 112.616 -167.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.11 14.36 14.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.912 0.885 . . . . 0.0 110.773 -166.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.444 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -152.21 48.0 0.44 Allowed Pre-proline 0 CA--C 1.565 1.52 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.299 175.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -87.1 -4.3 7.85 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 122.399 2.066 . . . . 0.0 113.172 -172.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 m -93.02 4.29 54.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.673 0.789 . . . . 0.0 111.703 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 91.3 mt-10 -57.07 128.7 38.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.893 0.877 . . . . 0.0 111.288 -177.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -67.07 153.43 43.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.255 1.022 . . . . 0.0 112.019 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 123.438 0.695 . . . . 0.0 109.761 176.647 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.18 -89.03 0.09 OUTLIER Glycine 0 C--N 1.34 0.775 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 59.83 63.4 1.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.408 1.083 . . . . 0.0 110.724 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.17 135.63 48.38 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.005 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -84.14 84.79 7.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.676 0.79 . . . . 0.0 110.08 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -126.66 111.48 14.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -91.06 48.37 1.51 Allowed 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.012 0.911 . . . . 0.0 110.309 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -174.7 154.68 2.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.303 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -91.96 -172.07 3.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -131.74 81.76 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.772 0.796 . . . . 0.0 109.723 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -68.7 137.6 54.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.576 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.22 10.37 13.29 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.399 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -160.66 -40.0 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.474 0.71 . . . . 0.0 110.229 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.26 -22.3 15.86 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.943 -0.365 . . . . 0.0 113.222 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.27 34.85 20.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.899 1.28 . . . . 0.0 112.879 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.42 75.14 2.25 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.296 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.91 172.05 9.89 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.669 0.787 . . . . 0.0 110.96 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 105.6 0.33 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -83.82 163.28 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.346 0.658 . . . . 0.0 111.114 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.9 155.42 34.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.344 0.658 . . . . 0.0 111.054 -173.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.77 151.35 11.77 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.084 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.58 116.52 28.55 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -74.41 86.46 2.02 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.556 0.693 . . . . 0.0 110.193 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.64 141.29 35.7 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.472 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.478 ' HB2' ' HA ' ' A' ' 29' ' ' HIS . 43.3 p -159.85 59.16 0.37 Allowed 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.917 0.887 . . . . 0.0 109.793 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.2 2.86 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.149 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -88.37 80.58 7.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 37.2 m 65.79 171.02 0.22 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.997 1.319 . . . . 0.0 111.914 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' HA ' ' HB2' ' A' ' 25' ' ' SER . 65.5 m80 -80.05 118.63 21.94 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.233 0.54 . . . . 0.0 110.768 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 37' ' ' SER . 43.5 mt -90.31 142.22 27.94 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.616 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 t -68.22 104.83 0.76 Allowed Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 163.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD2' HD21 ' A' ' 48' ' ' LEU . 19.6 Cg_endo -54.5 -19.06 16.61 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 C-N-CA 123.674 2.916 . . . . 0.0 115.093 -167.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 52' ' ' HIS . 6.2 t -81.51 -34.78 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 123.514 0.726 . . . . 0.0 111.045 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.67 125.03 21.85 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.652 0.781 . . . . 0.0 109.729 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.81 110.62 2.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -167.66 110.39 0.64 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -170.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . 69.0 m -71.74 141.47 49.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.86 0.864 . . . . 0.0 111.504 -177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -137.83 128.06 26.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.948 0.899 . . . . 0.0 109.599 173.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.55 29.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.273 0.629 . . . . 0.0 110.802 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.4 m -98.8 141.96 30.94 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.576 0.75 . . . . 0.0 110.076 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -62.25 -46.82 87.13 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.09 72.57 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.693 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.45 -30.62 66.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.076 0.55 . . . . 0.0 110.681 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -70.83 -47.77 57.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.083 0.553 . . . . 0.0 109.869 173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.31 -38.38 86.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.916 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -67.4 -36.06 80.53 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.221 0.325 . . . . 0.0 111.143 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.97 -24.78 62.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.3 mt -85.2 -70.56 0.58 Allowed 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.654 0.596 . . . . 0.0 111.373 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.92 -25.3 68.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -169.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.22 -62.75 1.46 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -99.19 -52.08 3.63 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.455 ' HB3' HG22 ' A' ' 33' ' ' VAL . 20.5 m170 -107.63 49.65 0.8 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.585 1.154 . . . . 0.0 110.749 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.53 -11.11 59.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 113.992 -1.458 . . . . 0.0 112.646 -174.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.53 95.48 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.078 0.951 . . . . 0.0 112.766 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.34 -12.37 37.91 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.187 0.595 . . . . 0.0 112.522 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG11 HD13 ' A' ' 48' ' ' LEU . 26.8 m -107.32 170.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 122.78 0.432 . . . . 0.0 110.557 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -130.97 85.86 53.72 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 109.37 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 59.1 Cg_endo -71.25 128.57 14.84 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.255 1.97 . . . . 0.0 111.101 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.523 ' HA ' HD13 ' A' ' 72' ' ' LEU . 40.6 t -51.12 103.2 0.05 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -43.56 -36.49 2.11 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -161.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.1 m-85 -88.6 -26.07 22.12 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.07 136.09 28.29 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.27 -176.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.49 95.1 0.12 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.08 2.52 . . . . 0.0 112.678 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.33 109.16 1.49 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.472 1.109 . . . . 0.0 108.787 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -91.2 135.58 33.68 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.39 0.614 . . . . 0.0 112.055 -174.571 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -122.5 125.21 45.31 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.755 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.33 8.53 5.94 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.305 0.574 . . . . 0.0 111.088 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -130.66 147.27 52.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.928 0.891 . . . . 0.0 110.447 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 16.4 m -66.2 -43.93 57.12 Favored Pre-proline 0 CA--C 1.572 1.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.86 -38.44 29.91 Favored 'Trans proline' 0 C--N 1.399 3.199 0 CA-C-N 121.743 1.658 . . . . 0.0 112.988 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.0 86.42 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.317 0.385 . . . . 0.0 113.297 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 59' ' ' CYS . 27.3 tp -50.76 -56.87 10.04 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.002 1.321 . . . . 0.0 111.414 174.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -72.1 -35.52 69.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.026 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -68.95 -20.18 64.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.273 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 28.2 t-80 -66.21 -41.44 90.12 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.386 0.994 . . . . 0.0 109.11 173.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 25.8 mt -67.69 -38.84 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.889 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.68 -34.41 58.22 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.49 -61.94 1.75 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.4 t -140.62 11.05 2.27 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -166.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 5.6 t-160 -115.75 80.87 8.87 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -84.75 -164.66 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.652 2.235 . . . . 0.0 111.537 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m 75.25 -18.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.394 1.477 . . . . 0.0 113.302 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.57 126.6 32.47 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.153 0.981 . . . . 0.0 109.815 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 69.6 114.79 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.011 1.324 . . . . 0.0 112.389 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.57 79.38 0.03 OUTLIER Glycine 0 C--N 1.336 0.555 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.94 -4.59 13.9 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.607 0.763 . . . . 0.0 111.23 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -69.25 108.84 3.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.364 0.666 . . . . 0.0 109.66 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -117.23 105.82 12.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.791 . . . . 0.0 109.083 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -112.92 138.77 49.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.95 0.9 . . . . 0.0 110.933 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -103.51 179.14 4.36 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.908 0.883 . . . . 0.0 109.493 174.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -149.58 128.05 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.22 0.608 . . . . 0.0 109.875 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 m -125.7 137.55 53.84 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.474 1.11 . . . . 0.0 110.115 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -158.31 98.95 1.6 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -155.19 112.63 3.35 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.56 0.744 . . . . 0.0 109.29 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.54 86.97 0.08 OUTLIER Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.63 142.57 19.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.423 0.689 . . . . 0.0 109.77 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.0 80.76 0.03 OUTLIER Glycine 0 C--N 1.348 1.217 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 177.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -110.09 155.17 22.24 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.584 0.753 . . . . 0.0 110.185 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.28 143.36 17.94 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.39 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.14 110.26 10.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.84 0.856 . . . . 0.0 108.979 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.6 34.85 1.77 Allowed Glycine 0 C--N 1.351 1.411 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m -93.87 170.96 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.015 0.926 . . . . 0.0 111.334 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.55 172.0 8.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.438 1.095 . . . . 0.0 110.393 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.17 49.53 0.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.193 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -88.12 108.91 19.5 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -91.72 75.39 5.76 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.526 0.679 . . . . 0.0 110.323 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.63 132.77 37.2 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.234 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.0 t -163.6 164.55 24.08 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.674 0.79 . . . . 0.0 109.702 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.99 -66.17 0.1 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 0.0 110.529 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -96.5 67.84 2.47 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.888 0.875 . . . . 0.0 109.804 -174.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 37' ' ' SER . 19.7 m -172.68 136.29 0.72 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.016 1.327 . . . . 0.0 109.777 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -80.34 115.17 19.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 168.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.37 135.72 37.84 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.154 0.581 . . . . 0.0 109.995 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 14.1 t -57.09 106.68 0.72 Allowed Pre-proline 0 N--CA 1.485 1.28 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD2' HD22 ' A' ' 48' ' ' LEU . 39.3 Cg_exo -36.01 -42.25 0.57 Allowed 'Trans proline' 0 C--N 1.382 2.311 1 C-N-CA 125.345 4.03 . . . . 0.0 116.633 -161.004 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.591 HG13 ' HG3' ' A' ' 55' ' ' GLN . 15.9 t -85.68 -31.2 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 C-N-CA 123.193 0.597 . . . . 0.0 112.129 -171.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.644 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.3 p -121.52 134.2 55.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.859 -0.526 . . . . 0.0 110.996 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.36 110.07 3.02 Favored Glycine 0 C--N 1.349 1.277 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 171.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -168.14 111.06 0.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -170.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 39.2 m -83.47 133.56 34.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 -167.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.48 143.77 43.99 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.076 1.35 . . . . 0.0 108.216 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.88 -48.23 13.82 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.174 0.512 . . . . 0.0 109.658 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 m -81.83 136.55 35.38 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.135 0.974 . . . . 0.0 110.512 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -75.72 -22.92 56.12 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.201 0.6 . . . . 0.0 110.883 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.98 -33.8 85.0 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.22 59.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.55 0.74 . . . . 0.0 110.66 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.04 -52.78 63.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.338 0.655 . . . . 0.0 110.586 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -15.78 59.03 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.724 -176.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.31 85.45 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 122.422 0.289 . . . . 0.0 110.545 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.589 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.6 t-80 -71.06 -22.61 62.1 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 117.537 0.153 . . . . 0.0 110.832 -177.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.512 ' HB3' HG22 ' A' ' 56' ' ' VAL . 93.7 mt -67.51 -66.26 0.58 Allowed 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.847 0.717 . . . . 0.0 109.676 175.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -29.52 60.74 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.04 -67.96 0.68 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.606 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.53 -34.93 5.4 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -168.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.644 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -98.4 23.73 8.13 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.581 0.752 . . . . 0.0 111.721 -175.344 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.86 -9.47 59.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.458 1.103 . . . . 0.0 111.195 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.82 -24.88 64.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.571 0.748 . . . . 0.0 110.544 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.591 ' HG3' HG13 ' A' ' 33' ' ' VAL . 15.3 mm-40 -98.12 -45.81 6.09 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.762 0.825 . . . . 0.0 111.052 -177.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 48' ' ' LEU . 33.5 m -90.33 152.18 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.502 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' HB3' HD23 ' A' ' 72' ' ' LEU . 97.7 m-85 -125.91 85.93 58.53 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.91 0.884 . . . . 0.0 110.681 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 72.3 Cg_endo -74.93 130.09 13.02 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.77 2.314 . . . . 0.0 112.335 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 7.1 t -68.89 101.66 1.41 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -59.38 -20.46 54.96 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 125.1 1.36 . . . . 0.0 114.269 -160.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.37 -22.18 52.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.217 1.007 . . . . 0.0 110.788 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.463 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.5 p -132.53 161.14 65.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.689 1.196 . . . . 0.0 109.724 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.6 21.06 0.58 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.342 2.028 . . . . 0.0 114.417 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.2 101.28 9.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.921 0.888 . . . . 0.0 109.815 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 83.7 m -91.91 114.94 27.62 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.982 178.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.35 156.6 17.64 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -98.56 -7.41 28.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.322 0.649 . . . . 0.0 109.989 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.431 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 18.9 m -128.93 145.24 51.28 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.89 0.876 . . . . 0.0 110.973 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -66.04 -33.96 7.9 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.573 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 74.5 Cg_exo -55.78 -45.95 35.24 Favored 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 121.964 1.776 . . . . 0.0 112.237 169.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 74' ' ' ARG . . . -60.05 -38.99 95.12 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 124.186 0.929 . . . . 0.0 112.832 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 57' ' ' PHE . 41.9 tp -54.35 -55.63 26.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.482 1.113 . . . . 0.0 110.377 171.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -61.25 -36.23 79.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.46 1.104 . . . . 0.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 64.7 mtp85 -59.64 -37.37 78.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.877 0.871 . . . . 0.0 111.646 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -73.5 -46.3 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.217 0.323 . . . . 0.0 110.249 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.47 -23.35 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 123.633 0.583 . . . . 0.0 111.343 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.59 -58.57 2.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.496 0.718 . . . . 0.0 110.967 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -91.33 -63.2 1.29 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.611 0.596 . . . . 0.0 112.611 -167.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.1 m -96.7 -0.67 47.97 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -166.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.463 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.4 m170 -155.41 60.15 2.45 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.688 1.195 . . . . 0.0 110.174 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -74.29 -176.38 2.68 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 123.211 2.608 . . . . 0.0 112.913 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 t 61.86 -137.96 0.5 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.73 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 59.43 64.54 1.32 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.07 0.948 . . . . 0.0 110.327 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -96.7 142.63 28.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.03 -166.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.672 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.6 mtm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.18 -149.62 20.34 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.533 0.52 . . . . 0.0 112.103 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -159.23 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 109.838 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.65 160.38 22.73 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.59 0.756 . . . . 0.0 111.88 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -141.92 140.59 32.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.612 1.165 . . . . 0.0 109.107 172.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -125.57 117.05 22.74 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.055 0.942 . . . . 0.0 109.358 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -162.43 77.72 0.48 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.832 0.825 . . . . 0.0 109.997 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -130.27 129.96 43.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.888 0.875 . . . . 0.0 109.268 173.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -148.92 145.69 27.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.282 1.033 . . . . 0.0 109.37 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -83.33 132.88 34.99 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -25.57 19.03 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.005 0.522 . . . . 0.0 109.863 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.77 -164.36 41.07 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.614 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.1 126.33 4.23 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.826 0.85 . . . . 0.0 108.914 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.99 126.67 23.83 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.785 0.678 . . . . 0.0 111.978 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -86.01 150.14 24.68 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.312 0.645 . . . . 0.0 111.24 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 138.72 21.62 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.815 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 -55.59 0.46 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.585 0.754 . . . . 0.0 110.357 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 103.96 2.71 Favored Glycine 0 N--CA 1.47 0.903 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -173.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -107.53 171.72 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.176 0.59 . . . . 0.0 111.571 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 pp -144.09 168.61 19.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.45 61.21 0.33 Allowed Glycine 0 C--N 1.343 0.925 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.28 -34.94 77.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.704 0.802 . . . . 0.0 109.661 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -67.62 101.26 0.99 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.794 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.77 179.42 9.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.991 0.916 . . . . 0.0 110.344 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.3 m 64.71 20.43 12.13 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.662 1.185 . . . . 0.0 112.482 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -130.0 134.64 47.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.694 0.797 . . . . 0.0 109.443 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.19 88.91 0.44 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.096 0.959 . . . . 0.0 109.211 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.633 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 57.8 m -142.31 178.94 7.23 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 124.232 1.013 . . . . 0.0 109.186 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.08 111.69 7.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.76 137.23 33.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.902 0.481 . . . . 0.0 110.144 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.3 t -75.48 99.93 0.35 Allowed Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 164.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' HD13 ' A' ' 48' ' ' LEU . 10.1 Cg_endo -48.19 -29.1 12.04 Favored 'Trans proline' 0 C--N 1.381 2.263 0 C-N-CA 123.978 3.118 . . . . 0.0 115.661 -165.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.98 -18.58 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.552 0 C-N-CA 123.552 0.741 . . . . 0.0 112.116 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.656 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 30.8 p -141.14 132.22 26.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.98 109.85 2.82 Favored Glycine 0 C--N 1.356 1.646 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -175.75 101.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -159.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.633 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 60.0 p -93.24 130.57 38.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 0.0 111.544 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.13 145.01 47.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.849 1.259 . . . . 0.0 110.009 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 -33.61 70.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.813 0.445 . . . . 0.0 111.4 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -116.24 152.72 33.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.079 0.552 . . . . 0.0 111.176 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -71.92 -21.99 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.769 0.828 . . . . 0.0 111.487 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.71 -39.71 47.7 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.67 0.606 . . . . 0.0 112.379 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.61 67.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.598 0.359 . . . . 0.0 110.445 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.64 -59.66 3.71 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.716 0.807 . . . . 0.0 111.678 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -71.84 -19.45 61.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.977 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -29.43 62.09 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.189 0.305 . . . . 0.0 111.146 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.493 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t-80 -68.9 -40.81 78.94 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB3' HG12 ' A' ' 56' ' ' VAL . 95.7 mt -64.66 -33.85 76.92 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.555 175.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -75.52 -40.47 56.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.574 0.75 . . . . 0.0 111.152 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.7 mt -105.64 -68.58 0.86 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.543 0.737 . . . . 0.0 111.459 -168.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.44 -4.67 57.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.404 0.682 . . . . 0.0 112.419 -169.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.656 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 1.7 m170 -139.57 37.69 2.03 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.438 1.095 . . . . 0.0 109.269 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -23.51 65.97 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.186 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.14 -5.39 31.34 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.762 0.825 . . . . 0.0 112.994 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -117.41 8.12 12.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.786 0.834 . . . . 0.0 111.872 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' A' ' 67' ' ' TYR . 33.2 m -129.01 158.52 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.743 0.782 . . . . 0.0 111.66 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.557 ' HB3' HD23 ' A' ' 72' ' ' LEU . 81.9 m-85 -131.41 88.77 42.8 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 125.22 1.408 . . . . 0.0 108.734 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.37 139.91 23.88 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.989 2.46 . . . . 0.0 112.632 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 34.8 t -68.41 104.59 1.93 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.233 0.613 . . . . 0.0 109.389 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -38.58 -48.45 1.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.784 2.034 . . . . 0.0 116.445 -161.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -73.65 -39.93 64.11 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -171.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.453 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 30.9 p -107.7 152.19 41.41 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 122.994 0.518 . . . . 0.0 111.115 -172.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.3 80.01 1.07 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.271 1.98 . . . . 0.0 110.698 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 93.19 2.54 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.45 1.1 . . . . 0.0 108.2 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -92.65 115.79 28.42 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.219 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.43 136.71 40.82 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.766 0.826 . . . . 0.0 109.081 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.508 ' HA ' HG11 ' A' ' 56' ' ' VAL . 57.8 t80 -77.69 -10.8 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.589 0.356 . . . . 0.0 110.892 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.3 m -125.75 144.86 50.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.375 0.67 . . . . 0.0 110.712 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 11.3 t -67.21 -39.37 20.62 Favored Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 124.371 1.068 . . . . 0.0 112.208 177.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 Cg_endo -61.27 -26.8 82.46 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.642 1.561 . . . . 0.0 112.693 169.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.28 -38.46 62.84 Favored Glycine 0 C--N 1.355 1.584 0 O-C-N 123.78 0.675 . . . . 0.0 112.411 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 57' ' ' PHE . 25.2 tp -54.23 -49.32 69.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.14 0.976 . . . . 0.0 110.305 170.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 m -61.22 -26.93 68.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.855 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 70' ' ' PRO . 3.7 mmp_? -65.16 -50.67 65.08 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.733 0.413 . . . . 0.0 112.089 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.524 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.5 t-80 -76.71 -19.5 57.62 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.802 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mt -75.31 -66.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -54.18 -34.18 59.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.874 0.87 . . . . 0.0 112.807 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -90.52 -60.07 2.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 122.847 0.459 . . . . 0.0 111.649 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -114.57 -7.97 12.76 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -160.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.453 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.5 m80 -141.23 49.45 1.54 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 123.537 0.735 . . . . 0.0 111.091 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.06 -36.34 0.12 Allowed 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 122.24 1.96 . . . . 0.0 113.61 -172.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.8 p -75.64 81.25 2.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.826 0.85 . . . . 0.0 109.735 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.05 14.74 13.18 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.694 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.83 152.64 43.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.058 0.943 . . . . 0.0 110.502 171.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 . . . . . 0 C--O 1.251 1.17 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.743 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.18 42.92 49.2 Favored Glycine 0 C--N 1.349 1.266 0 O-C-N 123.587 0.554 . . . . 0.0 113.109 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.27 86.78 1.96 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 121.811 0.815 . . . . 0.0 111.275 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -134.71 168.52 18.87 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.827 1.251 . . . . 0.0 108.649 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.496 ' HB2' ' HA3' ' A' ' 14' ' ' GLY . 27.3 p80 -77.11 -24.49 51.74 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.121 0.169 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 65.64 159.39 0.12 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.982 1.713 . . . . 0.0 112.748 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -81.04 160.44 24.53 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.78 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 67.2 114.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 124.828 1.33 . . . . 0.0 110.325 -174.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 m -61.89 102.33 0.27 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 110.949 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -67.32 -47.22 71.17 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.357 0.663 . . . . 0.0 109.48 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 73.2 mtm -132.04 -43.48 0.97 Allowed 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.74 -176.65 14.48 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.983 168.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -70.23 -34.17 72.54 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 117.211 0.505 . . . . 0.0 110.533 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HB2' ' A' ' 5' ' ' HIS . . . 102.99 37.92 3.03 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 123.974 0.796 . . . . 0.0 111.785 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.7 -165.51 2.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.975 0.91 . . . . 0.0 109.625 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.95 92.68 0.09 OUTLIER Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 98.82 0.36 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 171.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.04 68.89 3.01 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.387 -172.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.16 160.75 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.07 0.948 . . . . 0.0 109.311 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 pp -92.0 176.94 6.32 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.867 0.365 . . . . 0.0 110.756 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.61 102.75 2.25 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -66.94 -17.64 65.01 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.364 0.665 . . . . 0.0 111.398 175.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -66.87 -18.35 65.34 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.984 0.913 . . . . 0.0 111.369 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.05 -69.08 0.2 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 125.98 1.712 . . . . 0.0 110.227 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.0 p -124.84 111.7 15.81 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.206 1.002 . . . . 0.0 109.139 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.85 135.68 37.1 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.095 0.558 . . . . 0.0 109.928 176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -93.56 171.48 8.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.041 0.937 . . . . 0.0 109.547 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.3 m 72.12 172.65 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.231 1.413 . . . . 0.0 111.676 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.99 119.0 24.4 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.08 150.88 22.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.513 0.325 . . . . 0.0 110.732 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.502 ' HA ' ' HG3' ' A' ' 44' ' ' GLN . 10.9 t -64.17 109.73 3.07 Favored Pre-proline 0 N--CA 1.481 1.088 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 165.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HD2' HD23 ' A' ' 48' ' ' LEU . 63.6 Cg_exo -44.13 -22.08 0.47 Allowed 'Trans proline' 0 N--CA 1.512 2.602 0 C-N-CA 125.097 3.865 . . . . 0.0 117.488 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -93.06 -32.33 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.843 0.457 . . . . 0.0 111.31 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.583 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.8 p -131.25 131.44 43.91 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.054 0.541 . . . . 0.0 110.978 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.34 110.11 2.72 Favored Glycine 0 C--N 1.358 1.756 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 172.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -165.83 101.5 0.67 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -163.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 p -75.26 116.71 16.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.87 0.868 . . . . 0.0 112.434 -166.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -123.41 133.76 54.05 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.158 0.983 . . . . 0.0 109.973 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.58 -40.85 80.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.758 0.823 . . . . 0.0 111.186 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -120.78 163.23 18.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.397 0.679 . . . . 0.0 110.984 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -71.78 -38.29 70.33 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.608 -170.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.52 -28.92 72.07 Favored Glycine 0 N--CA 1.475 1.298 0 O-C-N 123.293 0.37 . . . . 0.0 113.511 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . . . -74.99 -33.14 61.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.437 0.695 . . . . 0.0 111.086 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' HG3' ' HA ' ' A' ' 31' ' ' CYS . 13.8 tt0 -63.87 -51.52 64.22 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.288 0.635 . . . . 0.0 110.508 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.3 -35.68 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.28 -173.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.567 ' HE ' ' HA ' ' A' ' 43' ' ' ALA . 9.6 ptp180 -69.64 -39.7 76.95 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.59 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -66.54 -26.93 67.38 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 118.72 0.691 . . . . 0.0 110.451 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' A' ' 32' ' ' PRO . 95.9 mt -72.0 -67.28 0.55 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.791 0.682 . . . . 0.0 110.416 175.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -68.29 -19.67 64.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.02 -63.21 1.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.764 0.425 . . . . 0.0 110.887 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.6 mt -105.56 -52.36 2.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.387 0.675 . . . . 0.0 112.183 -169.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.583 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 9.5 m170 -91.13 38.48 0.96 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.406 1.083 . . . . 0.0 111.484 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.493 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -80.19 -4.17 51.97 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.202 1.401 . . . . 0.0 111.742 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.76 81.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.17 0.988 . . . . 0.0 111.335 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -104.14 -3.11 24.87 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.178 0.591 . . . . 0.0 112.324 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG21 ' HA ' ' A' ' 53' ' ' ALA . 34.2 m -126.93 142.24 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.543 ' HB3' HD22 ' A' ' 72' ' ' LEU . 69.0 m-85 -133.1 87.16 40.22 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.649 1.18 . . . . 0.0 109.361 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.525 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 91.5 Cg_endo -78.4 128.58 8.91 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 122.646 2.231 . . . . 0.0 113.13 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 2.1 t -64.34 102.52 0.54 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 171.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.85 -30.39 63.78 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.505 1.522 . . . . 0.0 114.987 -155.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -80.1 -7.21 58.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.156 0.582 . . . . 0.0 111.574 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.472 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 28.7 p -135.89 154.33 77.71 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.305 1.042 . . . . 0.0 110.778 171.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 77.06 2.53 Favored 'Trans proline' 0 CA--C 1.56 1.809 0 C-N-CA 122.072 1.848 . . . . 0.0 111.117 163.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' A' ' 62' ' ' CYS . . . -141.43 102.66 4.25 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.335 1.054 . . . . 0.0 108.325 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 31.8 m -96.89 132.0 43.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.888 0.875 . . . . 0.0 110.972 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.15 130.44 52.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.878 0.871 . . . . 0.0 110.073 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -83.4 20.03 1.42 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.541 0.736 . . . . 0.0 111.183 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.504 ' HB2' ' HD2' ' A' ' 70' ' ' PRO . 52.2 p -151.61 143.6 23.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.118 0.967 . . . . 0.0 109.017 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 p -66.74 -31.88 4.53 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 117.817 -1.087 . . . . 0.0 113.213 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.504 ' HD2' ' HB2' ' A' ' 68' ' ' SER . 88.9 Cg_exo -52.44 -49.16 18.4 Favored 'Trans proline' 0 C--N 1.407 3.616 0 C-N-CA 122.163 1.908 . . . . 0.0 112.775 167.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.35 97.9 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 123.394 0.434 . . . . 0.0 112.737 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.543 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -54.29 -57.93 9.33 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.588 1.155 . . . . 0.0 110.95 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -73.1 -25.81 61.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.474 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.68 -38.0 80.01 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.846 0.293 . . . . 0.0 111.186 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.4 t-80 -75.48 -17.86 60.01 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.662 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.0 mt -80.7 -65.97 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.92 -36.35 48.72 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.452 1.101 . . . . 0.0 113.199 -176.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -92.67 -59.75 1.99 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.057 0.543 . . . . 0.0 111.561 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.6 m -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -162.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 62' ' ' CYS . 14.4 m80 -140.55 52.25 3.16 Favored Pre-proline 0 N--CA 1.495 1.816 0 C-N-CA 123.54 0.736 . . . . 0.0 112.291 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 36.4 Cg_endo -100.15 1.22 0.8 Allowed 'Trans proline' 0 C--N 1.392 2.835 0 C-N-CA 123.316 2.677 . . . . 0.0 113.979 -177.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.46 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 19.9 m -88.63 32.96 0.77 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.587 0.755 . . . . 0.0 110.466 -175.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -121.26 154.83 35.83 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.697 1.599 . . . . 0.0 109.027 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 65.28 24.8 12.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.34 1.056 . . . . 0.0 111.492 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 82' ' ' SER . 13.6 ptm180 . . . . . 0 CA--C 1.559 1.318 0 C-N-CA 124.153 0.981 . . . . 0.0 109.559 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.45 72.33 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.68 0.613 . . . . 0.0 112.866 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.87 105.15 8.44 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.363 0.665 . . . . 0.0 110.556 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -144.9 50.72 1.25 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.073 1.349 . . . . 0.0 108.037 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -72.39 95.31 1.73 Allowed 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 122.011 0.91 . . . . 0.0 110.752 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -128.55 63.27 1.45 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -80.89 147.99 30.1 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.648 -173.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -74.54 87.25 2.11 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.12 0.568 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m 63.61 178.19 0.16 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.14 1.376 . . . . 0.0 113.081 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -142.39 85.51 1.91 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -120.86 19.46 11.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.903 0.881 . . . . 0.0 110.856 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.41 91.55 1.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -157.69 -44.07 0.06 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.567 0.747 . . . . 0.0 110.491 -173.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.58 7.26 3.12 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.258 -0.746 . . . . 0.0 113.963 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.68 123.36 19.88 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.29 -25.19 21.64 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.461 -0.336 . . . . 0.0 112.929 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.54 -171.78 3.71 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.108 0.963 . . . . 0.0 110.104 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.76 -136.28 8.21 Favored Glycine 0 C--N 1.346 1.12 0 C-N-CA 123.196 0.427 . . . . 0.0 112.185 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.78 166.43 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.195 0.998 . . . . 0.0 110.286 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pp -134.41 172.42 12.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.731 0.813 . . . . 0.0 111.25 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.48 -178.36 35.35 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.566 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.87 85.2 2.82 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.7 t -153.37 108.44 3.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.267 0.627 . . . . 0.0 110.066 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.35 88.61 1.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 p -70.98 -67.56 0.5 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.244 0.618 . . . . 0.0 110.668 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.0 -63.03 1.51 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.994 0.918 . . . . 0.0 108.89 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.57 ' HG2' HD22 ' A' ' 30' ' ' LEU . 1.1 tm-20 58.29 91.85 0.04 OUTLIER 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.034 1.334 . . . . 0.0 109.797 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -132.24 -46.01 0.92 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.356 0.663 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.494 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.6 m80 -139.25 117.0 11.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.567 1.147 . . . . 0.0 108.273 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 27' ' ' GLU . 38.7 mt -106.85 139.43 41.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.251 0.62 . . . . 0.0 110.207 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 40.7 t -63.27 105.48 0.67 Allowed Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' HD2' HD22 ' A' ' 48' ' ' LEU . 92.5 Cg_exo -48.04 -29.86 12.99 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.229 3.286 . . . . 0.0 116.067 -169.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 55' ' ' GLN . 10.3 t -86.24 -17.15 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 C-N-CA 122.926 0.491 . . . . 0.0 112.311 -172.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.6 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.6 p -145.52 135.77 23.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.814 -0.554 . . . . 0.0 111.083 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.97 110.92 3.77 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 173.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -162.65 108.61 1.2 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -171.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -74.73 114.02 12.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.976 0.51 . . . . 0.0 111.108 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' HIS . 69.5 m-85 -115.08 142.37 46.74 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.23 28.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.631 0.772 . . . . 0.0 109.8 172.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -97.91 150.65 21.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 0.0 111.535 -176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.73 -34.04 66.81 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.185 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.11 97.53 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.3 71.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 111.134 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.69 -50.61 71.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.879 0.872 . . . . 0.0 111.161 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.44 -35.61 73.47 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.973 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -69.29 -24.77 64.0 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.309 0.38 . . . . 0.0 111.608 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.515 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.1 t-80 -69.95 -41.15 74.93 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.519 ' HB3' HG13 ' A' ' 56' ' ' VAL . 91.3 mt -69.81 -31.1 68.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.046 0.939 . . . . 0.0 111.559 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -82.51 -37.79 24.74 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 110.605 -174.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -100.97 -72.15 0.69 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.116 0.567 . . . . 0.0 110.367 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.44 -12.42 46.19 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -163.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.6 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -134.09 32.06 3.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.364 1.066 . . . . 0.0 109.846 -176.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.487 ' HA ' HG21 ' A' ' 56' ' ' VAL . . . -75.02 -26.4 59.48 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.233 1.013 . . . . 0.0 112.559 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.15 72.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 0.0 111.0 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.605 ' HG3' HG13 ' A' ' 33' ' ' VAL . 14.4 mm100 -82.15 -26.98 32.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.72 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 48' ' ' LEU . 20.2 m -93.61 153.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.492 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.07 84.14 49.46 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.424 1.09 . . . . 0.0 110.026 -175.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 61.4 Cg_endo -75.81 123.07 7.18 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.51 2.14 . . . . 0.0 111.598 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 12.8 t -58.78 102.99 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.005 . . . . 0.0 110.225 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -17.05 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 127.808 2.443 . . . . 0.0 116.311 -164.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 3.7 m-85 -83.03 -17.54 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.94 -161.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -130.65 144.68 54.39 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 123.262 0.625 . . . . 0.0 110.05 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.85 82.6 1.22 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.429 2.086 . . . . 0.0 111.714 173.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.98 99.2 3.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.489 1.116 . . . . 0.0 108.22 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 64.1 m -92.77 137.12 32.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.462 0.705 . . . . 0.0 111.126 -173.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.39 144.0 50.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.394 1.477 . . . . 0.0 108.814 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -96.15 10.03 39.0 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.885 0.474 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.3 m -131.18 140.65 49.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.587 0.755 . . . . 0.0 109.91 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -65.46 -41.64 51.72 Favored Pre-proline 0 CA--C 1.567 1.607 0 C-N-CA 124.237 1.015 . . . . 0.0 112.719 -177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.41 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 28.0 Cg_exo -64.53 -42.51 16.24 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 121.855 1.704 . . . . 0.0 111.389 171.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.21 -34.24 53.13 Favored Glycine 0 C--N 1.363 2.055 0 O-C-N 124.39 1.056 . . . . 0.0 113.43 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.39 -53.0 50.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.772 1.229 . . . . 0.0 111.521 173.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.7 m -79.28 -24.13 43.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.302 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.6 mtt-85 -57.61 -30.1 65.05 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.949 0.499 . . . . 0.0 111.407 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.1 t-80 -67.68 -44.47 77.71 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.696 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 45.5 mt -67.15 -24.16 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.232 1.013 . . . . 0.0 110.941 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -84.45 -43.03 15.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.331 0.653 . . . . 0.0 110.619 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.505 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 87.7 tttt -93.07 -63.55 1.2 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -167.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.505 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 77.0 m -119.81 24.31 10.63 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.823 0.849 . . . . 0.0 111.702 -169.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.696 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.0 t-160 -153.6 41.59 0.19 Allowed Pre-proline 0 CA--C 1.563 1.476 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 24.7 Cg_endo -86.43 -5.98 8.16 Favored 'Trans proline' 0 C--N 1.39 2.759 0 C-N-CA 122.716 2.277 . . . . 0.0 115.176 -160.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.9 p -65.51 -77.18 0.07 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.612 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 32.03 -82.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 126.9 2.08 . . . . 0.0 115.117 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 60.64 68.65 0.74 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.246 1.418 . . . . 0.0 109.281 -172.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.174 -177.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.36 128.41 2.74 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -126.89 102.75 7.15 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -102.0 178.91 4.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 110.874 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -148.95 164.58 34.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.803 1.241 . . . . 0.0 109.496 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -154.65 159.69 40.95 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -97.86 119.28 36.18 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.018 0.372 . . . . 0.0 111.116 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -135.28 155.26 50.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.506 1.522 . . . . 0.0 108.298 167.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -163.02 146.18 10.72 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.583 0.753 . . . . 0.0 110.01 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -92.24 149.77 21.27 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.349 0.66 . . . . 0.0 110.517 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -157.2 168.12 28.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 0.0 110.197 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.41 -171.78 44.86 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.715 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -132.67 134.59 45.02 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.57 149.56 20.65 Favored Glycine 0 C--N 1.345 1.029 0 O-C-N 123.723 0.64 . . . . 0.0 112.909 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -112.25 161.38 16.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.003 0.921 . . . . 0.0 109.747 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.2 90.05 0.09 OUTLIER Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 130.73 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.752 0.821 . . . . 0.0 108.935 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.43 126.49 1.13 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.96 -173.13 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.342 0.657 . . . . 0.0 111.564 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -121.53 166.64 13.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.053 0.941 . . . . 0.0 109.031 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.19 46.1 0.02 OUTLIER Glycine 0 C--N 1.344 0.978 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.96 141.35 32.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.249 0.62 . . . . 0.0 111.162 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.9 m -142.57 169.18 18.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.633 1.173 . . . . 0.0 109.283 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 61.65 23.7 13.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.929 0.892 . . . . 0.0 111.775 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -83.34 -20.59 34.04 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.248 1.019 . . . . 0.0 111.847 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 72.78 129.29 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.419 1.488 . . . . 0.0 113.443 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.07 121.55 28.84 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.577 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 49.6 t -166.92 -43.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.386 0.612 . . . . 0.0 109.506 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -136.63 118.35 15.04 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.706 1.202 . . . . 0.0 108.511 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 37' ' ' SER . 50.0 mt -117.66 127.49 54.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.772 0.829 . . . . 0.0 109.47 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.83 108.66 1.97 Allowed Pre-proline 0 N--CA 1.484 1.227 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' HD2' HD23 ' A' ' 48' ' ' LEU . 39.7 Cg_endo -61.61 -1.04 1.76 Allowed 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 123.594 2.863 . . . . 0.0 116.071 -165.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.92 -16.13 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 C-N-CA 123.479 0.712 . . . . 0.0 111.537 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.573 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 17.5 p -154.77 163.67 39.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.007 0.523 . . . . 0.0 111.368 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.03 107.97 2.35 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.0 81.43 1.43 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.935 1.294 . . . . 0.0 108.371 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' HD22 ' A' ' 30' ' ' LEU . 13.3 p -80.44 116.54 20.55 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.172 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.49 143.12 43.63 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.797 0.839 . . . . 0.0 109.804 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . . . -74.97 -31.87 61.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.345 0.658 . . . . 0.0 110.092 171.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 m -90.13 145.14 25.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.899 0.879 . . . . 0.0 111.893 -177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -72.1 -48.59 42.76 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.547 0.739 . . . . 0.0 110.859 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.77 92.0 Favored Glycine 0 C--N 1.347 1.188 0 O-C-N 123.656 0.598 . . . . 0.0 112.997 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -17.67 63.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.808 0.843 . . . . 0.0 111.84 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.89 -55.1 4.25 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.627 0.771 . . . . 0.0 109.061 172.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.64 -28.17 68.35 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.267 1.027 . . . . 0.0 112.608 -171.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 5.2 ptp180 -60.3 -39.5 87.17 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.95 -32.78 74.66 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 117.803 0.274 . . . . 0.0 110.268 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD23 ' HD2' ' A' ' 32' ' ' PRO . 67.9 mt -71.97 -42.97 65.89 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 123.971 0.795 . . . . 0.0 112.023 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -79.34 -25.65 42.26 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 118.374 0.534 . . . . 0.0 111.78 -176.288 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.73 -75.46 0.48 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.705 0.402 . . . . 0.0 111.235 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -96.62 -24.77 15.85 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -166.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.573 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 3.3 m170 -114.98 38.88 3.03 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.762 0.825 . . . . 0.0 110.457 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -82.47 -2.99 55.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.385 -1.28 . . . . 0.0 113.124 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.61 -27.34 51.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.101 0.561 . . . . 0.0 111.001 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.0 -32.88 15.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.721 0.808 . . . . 0.0 111.679 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 35.8 m -92.61 158.61 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 171.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.555 ' HB3' HD23 ' A' ' 72' ' ' LEU . 92.6 m-85 -131.99 89.92 36.98 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.118 0.967 . . . . 0.0 109.266 -173.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.13 121.52 8.34 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.992 2.462 . . . . 0.0 112.886 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.14 120.51 9.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.69 0.796 . . . . 0.0 109.165 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.48 -17.6 62.9 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -160.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -102.69 -24.67 13.73 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -132.93 135.04 25.24 Favored Pre-proline 0 N--CA 1.495 1.795 0 CA-C-O 118.526 -0.749 . . . . 0.0 111.1 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -60.85 93.76 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.003 2.469 . . . . 0.0 111.5 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.05 105.15 1.74 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.521 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.434 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 17.1 p -93.07 125.18 37.54 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 122.828 0.451 . . . . 0.0 111.319 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -110.39 125.42 53.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.51 1.124 . . . . 0.0 108.612 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.43 -1.26 20.34 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.625 0.37 . . . . 0.0 111.499 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.5 m -130.8 136.1 48.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.972 0.909 . . . . 0.0 109.719 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -67.59 -30.87 3.15 Favored Pre-proline 0 CA--C 1.565 1.545 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 51.4 Cg_exo -57.12 -37.88 97.03 Favored 'Trans proline' 0 C--N 1.402 3.367 0 CA-C-N 122.24 1.836 . . . . 0.0 112.088 170.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.34 -37.03 70.45 Favored Glycine 0 C--N 1.357 1.699 0 O-C-N 123.8 0.687 . . . . 0.0 113.071 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD23 ' HB3' ' A' ' 57' ' ' PHE . 23.1 tp -52.04 -56.81 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.183 0.993 . . . . 0.0 110.635 171.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -68.42 -35.23 77.34 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.029 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 1.4 ttm180 -62.58 -30.18 71.14 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.919 0.888 . . . . 0.0 111.71 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.84 -52.48 50.1 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 174.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.55 -22.85 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.255 1.022 . . . . 0.0 111.429 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.53 -56.82 3.42 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.577 0.751 . . . . 0.0 111.506 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -94.02 -61.85 1.46 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.469 0.708 . . . . 0.0 111.478 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.8 t -95.46 11.29 33.43 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.928 0.891 . . . . 0.0 112.445 -164.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.56 53.03 0.39 Allowed Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -78.34 -1.82 11.94 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 123.468 2.779 . . . . 0.0 116.497 -153.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -142.11 -76.57 0.27 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 118.825 0.739 . . . . 0.0 111.024 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 58.18 36.94 26.2 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.333 1.053 . . . . 0.0 111.284 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -104.39 9.74 35.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.897 0.879 . . . . 0.0 111.143 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 . . . . . 0 CA--C 1.553 1.079 0 C-N-CA 123.423 0.689 . . . . 0.0 109.476 -177.067 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.455 0.169 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.17 86.56 0.58 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.279 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -102.69 111.06 23.21 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.015 0.926 . . . . 0.0 109.881 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -117.49 -20.06 9.21 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.707 0.803 . . . . 0.0 110.221 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -131.27 98.33 4.52 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.95 0.9 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -155.98 92.5 1.36 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m170 65.11 113.17 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.714 1.206 . . . . 0.0 111.081 -169.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -57.43 107.56 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.809 0.844 . . . . 0.0 109.229 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m 62.28 97.55 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.706 1.202 . . . . 0.0 110.073 -172.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -53.96 98.08 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.269 1.028 . . . . 0.0 111.959 -175.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.8 mtp -138.12 -44.56 0.51 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.393 1.077 . . . . 0.0 109.546 173.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . 69.29 47.79 49.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.425 -175.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.82 96.28 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.351 0.66 . . . . 0.0 109.789 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.98 -27.04 1.89 Allowed Glycine 0 CA--C 1.529 0.969 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.826 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 12' ' ' GLY . 12.4 pt-20 -85.11 172.07 11.53 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 117.54 0.67 . . . . 0.0 111.799 -176.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.82 -39.98 0.3 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.514 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.82 85.95 1.25 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.576 0.75 . . . . 0.0 110.467 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.6 -51.4 0.17 Allowed Glycine 0 C--N 1.335 0.505 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -89.24 158.08 2.99 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 123.982 0.913 . . . . 0.0 109.129 167.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.32 147.5 53.23 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.715 0.406 . . . . 0.0 111.66 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.04 146.44 10.26 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -46.1 89.67 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.202 0.601 . . . . 0.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -163.54 160.4 23.07 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.881 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.94 -31.76 4.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.956 0.902 . . . . 0.0 110.733 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.6 t -108.38 -5.69 16.57 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.015 0.926 . . . . 0.0 111.34 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.35 -172.68 0.14 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.343 1.057 . . . . 0.0 111.415 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -44.95 13.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.935 0.494 . . . . 0.0 109.875 172.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.6 m 53.18 -81.41 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.021 1.728 . . . . 0.0 112.627 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -147.0 129.6 16.0 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.8 mt -89.16 146.68 24.63 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.175 0.59 . . . . 0.0 109.882 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 12.6 t -66.42 96.18 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.981 172.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 48' ' ' LEU . 10.0 Cg_exo -23.95 -56.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.384 2.404 1 C-N-CA 125.985 4.456 . . . . 0.0 117.176 -157.17 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.437 HG22 ' HB3' ' A' ' 55' ' ' GLN . 35.8 t -79.15 -25.52 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 122.953 0.501 . . . . 0.0 112.194 -169.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.479 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 20.5 p -120.17 123.28 42.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.765 -0.584 . . . . 0.0 109.471 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 109.95 2.47 Favored Glycine 0 C--N 1.351 1.399 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -162.2 102.71 1.11 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 120.1 14.58 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.232 0.957 . . . . 0.0 112.364 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.57 131.51 49.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.048 0.939 . . . . 0.0 109.62 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -20.21 62.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.932 0.893 . . . . 0.0 112.174 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -141.44 153.56 45.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.44 0.696 . . . . 0.0 110.162 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.45 -19.75 64.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 123.597 0.759 . . . . 0.0 110.885 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.23 87.19 Favored Glycine 0 C--N 1.349 1.3 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.75 60.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.638 0.775 . . . . 0.0 111.494 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.46 -57.86 9.68 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.693 0.797 . . . . 0.0 110.228 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -61.74 -26.23 67.93 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.468 1.107 . . . . 0.0 111.308 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.86 -44.51 89.49 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.968 0.792 . . . . 0.0 111.259 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.4 t-80 -71.34 -36.08 71.41 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.436 0.562 . . . . 0.0 109.901 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' HB3' HG12 ' A' ' 56' ' ' VAL . 93.5 mt -65.81 -32.35 73.84 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.061 0.851 . . . . 0.0 112.288 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -84.41 -32.02 24.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 122.021 -0.424 . . . . 0.0 111.583 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.39 -78.2 0.34 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.532 0.333 . . . . 0.0 111.281 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -102.3 17.54 23.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.173 0.589 . . . . 0.0 111.695 -169.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.479 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -147.97 27.0 0.98 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.807 0.443 . . . . 0.0 111.296 178.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.88 60.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.989 0.916 . . . . 0.0 112.012 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -14.39 62.45 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.553 0.741 . . . . 0.0 111.76 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.437 ' HB3' HG22 ' A' ' 33' ' ' VAL . 27.0 mm-40 -107.44 -12.71 15.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.807 0.843 . . . . 0.0 112.862 -174.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG12 ' HB3' ' A' ' 48' ' ' LEU . 31.7 m -110.0 144.78 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 120.95 0.405 . . . . 0.0 110.524 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' HB3' HD23 ' A' ' 72' ' ' LEU . 98.2 m-85 -133.37 83.47 49.7 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 125.005 1.322 . . . . 0.0 109.37 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.2 Cg_endo -75.53 118.04 5.0 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.578 2.185 . . . . 0.0 112.117 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 47.2 t -70.55 103.45 2.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 171.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -50.77 -48.31 59.41 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.919 1.687 . . . . 0.0 115.474 -153.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 19.3 m-85 -82.39 -5.51 58.69 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.804 0.442 . . . . 0.0 111.699 -166.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.98 157.28 78.52 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.18 42.17 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.578 2.185 . . . . 0.0 113.118 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.22 92.08 3.91 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.24 1.016 . . . . 0.0 109.366 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 48.9 m -93.2 113.42 25.64 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -90.73 168.39 11.79 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 109.343 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -116.03 -4.67 11.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.203 0.601 . . . . 0.0 109.706 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -129.57 136.39 49.74 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.849 0.86 . . . . 0.0 109.609 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 p -65.76 -30.47 3.91 Favored Pre-proline 0 CA--C 1.571 1.764 0 CA-C-O 117.373 -1.298 . . . . 0.0 113.958 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.33 -47.2 27.1 Favored 'Trans proline' 0 C--N 1.407 3.642 0 C-N-CA 122.141 1.894 . . . . 0.0 112.946 167.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.01 93.99 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.009 0.193 . . . . 0.0 112.762 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 57' ' ' PHE . 66.6 tp -57.55 -58.96 6.02 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.867 0.867 . . . . 0.0 110.795 176.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -66.91 -33.34 75.37 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.728 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -70.86 -24.35 62.5 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.465 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.9 t-80 -71.93 -56.85 4.96 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.9 mt -50.78 -36.97 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 124.846 1.259 . . . . 0.0 112.158 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -83.97 -57.74 3.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.233 0.613 . . . . 0.0 111.482 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -89.6 -59.8 2.11 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.965 0.506 . . . . 0.0 112.347 -166.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -96.43 10.23 38.86 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.921 0.488 . . . . 0.0 112.128 -173.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.0 OUTLIER -145.36 45.95 0.54 Allowed Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 124.123 0.969 . . . . 0.0 108.626 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.99 168.29 25.12 Favored 'Trans proline' 0 C--N 1.385 2.482 0 C-N-CA 122.554 2.169 . . . . 0.0 112.77 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.4 t 65.9 12.85 8.69 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.666 1.186 . . . . 0.0 111.53 -176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -51.77 16.55 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.1 100.82 12.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.792 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 123.817 0.847 . . . . 0.0 110.914 179.505 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -128.99 124.94 36.31 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.728 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -124.85 126.69 45.98 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 t -61.83 102.69 0.33 Allowed Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 48' ' ' LEU . 85.1 Cg_exo -49.57 -17.45 1.86 Allowed 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 124.463 3.442 . . . . 0.0 117.125 -165.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.29 -26.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 C-N-CA 122.716 0.406 . . . . 0.0 111.603 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.18 117.91 17.06 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.132 0.573 . . . . 0.0 110.016 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.01 110.52 3.54 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -158.72 119.38 3.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -172.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 m -71.21 115.81 10.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.241 0.616 . . . . 0.0 111.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -114.77 128.81 56.51 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.651 0.78 . . . . 0.0 108.921 172.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.75 -46.52 21.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.9 m -78.29 140.01 38.85 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.444 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -78.2 -35.31 48.74 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.275 0.63 . . . . 0.0 110.633 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.27 -23.95 68.59 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.78 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.35 -32.28 68.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.585 0.754 . . . . 0.0 111.117 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -67.64 -49.25 63.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.838 0.855 . . . . 0.0 110.578 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.87 -40.91 95.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -68.56 -34.81 76.48 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.22 0.325 . . . . 0.0 110.49 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.48 -22.59 63.6 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.567 0.222 . . . . 0.0 110.647 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 32' ' ' PRO . 91.2 mt -79.84 -66.62 0.85 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.988 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -62.55 -21.04 65.27 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -167.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -89.49 -65.42 1.02 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.288 0.635 . . . . 0.0 110.924 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -96.26 -60.06 1.7 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.038 0.535 . . . . 0.0 111.411 -170.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -92.65 47.35 1.29 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.057 0.943 . . . . 0.0 111.738 -171.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.13 -5.09 53.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.451 -175.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.68 -34.51 75.8 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.678 0.391 . . . . 0.0 111.455 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -87.13 -30.96 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.569 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.51 140.42 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.069 0.547 . . . . 0.0 110.468 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -113.84 95.76 38.72 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 123.939 0.896 . . . . 0.0 110.725 -173.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 87.5 Cg_endo -79.88 121.07 4.42 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.991 2.461 . . . . 0.0 112.807 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -67.93 101.61 1.13 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -55.08 -27.02 41.8 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -155.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -76.62 -20.35 56.83 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.828 0.451 . . . . 0.0 111.572 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 30.7 p -133.5 154.72 80.95 Favored Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.202 1.001 . . . . 0.0 109.695 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.12 4.55 4.19 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.315 2.01 . . . . 0.0 113.738 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.54 95.89 0.11 Allowed 'General case' 0 C--O 1.25 1.084 0 C-N-CA 123.381 0.672 . . . . 0.0 110.228 173.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 29.4 m -93.23 123.49 36.54 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.174 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.04 157.69 17.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.441 0.696 . . . . 0.0 110.507 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 32' ' ' PRO . 45.8 m-85 -109.58 22.18 16.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.029 0.932 . . . . 0.0 109.525 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -155.18 150.55 27.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.679 0.792 . . . . 0.0 109.607 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -70.57 -48.4 16.94 Favored Pre-proline 0 CA--C 1.562 1.41 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.475 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 26.3 Cg_endo -59.27 -40.77 65.56 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 122.122 1.882 . . . . 0.0 112.383 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.8 59.45 Favored Glycine 0 C--N 1.356 1.639 0 O-C-N 123.362 0.414 . . . . 0.0 113.616 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.9 -59.41 4.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.537 1.135 . . . . 0.0 111.606 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -72.75 -27.58 62.11 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.121 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 64.5 mtp180 -64.53 -23.81 67.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.315 0.384 . . . . 0.0 112.029 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.07 -50.47 27.97 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -29.48 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.75 -50.64 9.02 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.161 0.584 . . . . 0.0 110.774 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -92.96 -62.7 1.33 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.8 t -102.28 7.93 40.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.574 0.75 . . . . 0.0 112.599 -164.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.558 1.273 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -144.41 125.52 14.55 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.63 1.172 . . . . 0.0 108.089 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.5 141.98 45.61 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.17 0.588 . . . . 0.0 110.386 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 35.8 t -83.01 95.56 0.29 Allowed Pre-proline 0 N--CA 1.478 0.936 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 168.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -53.36 -16.65 7.59 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 123.811 3.007 . . . . 0.0 116.322 -164.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -82.83 -31.41 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.245 0.618 . . . . 0.0 111.303 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 p -138.14 147.31 43.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.46 0.704 . . . . 0.0 110.803 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 109.5 2.92 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.7 108.19 0.48 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -166.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -108.57 134.88 50.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.622 0.769 . . . . 0.0 110.939 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -139.91 142.01 36.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.497 1.119 . . . . 0.0 109.002 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.52 -37.66 36.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.909 0.484 . . . . 0.0 109.715 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 p -77.89 123.55 26.9 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.012 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 21.3 ttpp -68.1 -30.3 69.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.097 0.559 . . . . 0.0 111.234 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.35 -34.74 89.35 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.226 0.329 . . . . 0.0 112.595 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.155 0.582 . . . . 0.0 110.524 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -65.77 -44.64 85.22 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.117 0.567 . . . . 0.0 110.166 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 59.9 mm-40 -56.81 -52.6 64.44 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 124.113 0.883 . . . . 0.0 110.565 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.24 -27.81 68.92 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.728 0.643 . . . . 0.0 112.552 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -70.57 -28.05 64.59 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 176.036 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.0 mt -86.28 -67.66 0.79 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.069 0.547 . . . . 0.0 111.798 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 16.0 ptm180 -57.76 -30.5 65.67 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 68.4 mt -95.5 -62.69 1.26 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.7 0.4 . . . . 0.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.7 mt -85.96 -49.0 8.18 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -168.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -116.65 54.68 0.84 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.049 0.928 . . . . 0.0 110.775 -169.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -87.79 7.33 30.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.189 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.58 62.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.095 0.958 . . . . 0.0 112.403 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HB2' HG22 ' A' ' 33' ' ' VAL . 17.7 mm-40 -106.05 -26.17 11.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.753 0.421 . . . . 0.0 111.848 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 53' ' ' ALA . 33.2 m -85.69 141.38 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.53 86.67 12.85 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.16 0.984 . . . . 0.0 110.344 -177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 84.1 Cg_endo -79.53 130.23 8.79 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.764 2.309 . . . . 0.0 112.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.98 103.76 0.25 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.98 -17.58 64.54 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -157.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -92.79 -22.54 19.28 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.112 0.565 . . . . 0.0 112.02 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -135.39 148.24 65.25 Favored Pre-proline 0 N--CA 1.485 1.288 0 CA-C-O 118.906 -0.569 . . . . 0.0 110.202 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.95 92.12 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 121.95 1.767 . . . . 0.0 112.219 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.88 95.53 1.53 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.641 1.177 . . . . 0.0 109.178 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 25.2 m -92.26 122.11 34.42 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.484 0.714 . . . . 0.0 110.79 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.99 168.92 8.87 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.065 0.946 . . . . 0.0 109.708 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' HD1' HG12 ' A' ' 56' ' ' VAL . 24.6 t80 -121.51 16.54 11.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.633 0.73 . . . . 0.0 109.751 175.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -133.6 138.89 46.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.306 0.642 . . . . 0.0 110.113 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 m -63.66 -44.68 81.29 Favored Pre-proline 0 CA--C 1.569 1.71 0 C-N-CA 123.968 0.907 . . . . 0.0 111.567 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 36.5 Cg_endo -64.94 -36.04 40.82 Favored 'Trans proline' 0 C--N 1.402 3.384 0 C-N-CA 121.785 1.657 . . . . 0.0 111.523 169.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.31 91.89 Favored Glycine 0 C--N 1.364 2.114 0 O-C-N 123.587 0.555 . . . . 0.0 113.027 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.5 -48.82 74.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.888 1.275 . . . . 0.0 110.414 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 m -74.91 -26.11 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.187 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.2 mtt-85 -61.28 -32.5 72.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.18 0.592 . . . . 0.0 111.593 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -52.79 41.13 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.28 -32.92 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.804 1.242 . . . . 0.0 112.126 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -81.78 -58.49 2.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.277 0.631 . . . . 0.0 110.002 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -90.65 -61.2 1.73 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.461 0.704 . . . . 0.0 112.656 -167.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -101.94 10.11 39.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.516 0.727 . . . . 0.0 112.099 -167.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 . . . . . 0 CA--C 1.564 1.498 0 C-N-CA 124.11 0.964 . . . . 0.0 109.497 178.379 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.614 0.245 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -71.82 128.42 35.69 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.06 0.944 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.15 136.69 47.4 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.86 0.464 . . . . 0.0 110.862 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -67.19 111.41 7.14 Favored Pre-proline 0 N--CA 1.485 1.295 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.448 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' HD21 ' A' ' 48' ' ' LEU . 40.1 Cg_exo -39.01 -38.81 1.19 Allowed 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 125.041 3.827 . . . . 0.0 116.013 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 t -79.95 -23.31 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.605 0.762 . . . . 0.0 111.71 -172.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 23.1 p -145.2 118.2 8.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.978 0.511 . . . . 0.0 110.161 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.27 107.37 1.78 Allowed Glycine 0 C--N 1.353 1.487 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -154.34 126.37 7.76 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -77.24 115.68 17.22 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.963 0.789 . . . . 0.0 111.547 -167.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -121.53 125.37 46.62 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.656 0.782 . . . . 0.0 108.97 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.51 -43.31 27.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -77.8 133.49 38.2 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.836 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -62.55 -35.03 78.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.683 0.793 . . . . 0.0 110.906 173.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.72 90.7 Favored Glycine 0 C--N 1.346 1.102 0 O-C-N 123.3 0.375 . . . . 0.0 112.953 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -33.97 70.35 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.533 0.733 . . . . 0.0 110.934 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -69.41 -47.6 63.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.986 0.914 . . . . 0.0 109.874 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -46.01 90.79 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.835 1.654 . . . . 0.0 111.636 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -66.39 -30.36 70.72 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.575 0.547 . . . . 0.0 111.53 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 2.4 t-80 -69.01 -22.21 64.08 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 32' ' ' PRO . 96.8 mt -84.67 -65.32 1.02 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.731 0.644 . . . . 0.0 110.166 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -65.89 -23.73 66.7 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -168.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -97.06 -70.96 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.804 0.442 . . . . 0.0 110.381 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.86 -62.74 1.58 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.119 0.567 . . . . 0.0 111.549 -169.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 47' ' ' HIS . 2.8 m-70 -86.93 43.46 1.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.531 1.132 . . . . 0.0 111.505 -176.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.73 1.98 24.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.804 1.242 . . . . 0.0 111.63 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -20.93 60.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.862 0.865 . . . . 0.0 111.483 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -102.96 -26.92 12.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.156 0.582 . . . . 0.0 111.832 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 24.5 m -101.21 115.42 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.208 0.528 . . . . 0.0 109.747 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -92.21 102.46 6.43 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 124.542 1.137 . . . . 0.0 110.197 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.05 120.34 4.97 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.604 2.203 . . . . 0.0 111.091 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -57.23 104.51 0.17 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 172.36 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.69 -31.37 6.71 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -154.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.472 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 43.2 m-85 -73.7 -19.15 60.9 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 122.938 0.495 . . . . 0.0 111.56 -175.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.1 p -132.23 159.76 70.85 Favored Pre-proline 0 N--CA 1.482 1.14 0 C-N-CA 124.623 1.169 . . . . 0.0 110.562 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.86 9.1 3.41 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.539 2.159 . . . . 0.0 113.836 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.56 5.72 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.72 0.808 . . . . 0.0 110.46 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 20.5 p -91.57 146.29 23.91 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.611 0.764 . . . . 0.0 111.061 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.22 120.56 19.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.337 1.055 . . . . 0.0 108.796 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -66.6 -14.04 61.87 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.256 0.622 . . . . 0.0 111.252 -172.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.403 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 50.5 m -123.38 142.2 51.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 110.223 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 43.0 p -66.69 -29.01 2.49 Favored Pre-proline 0 CA--C 1.57 1.734 0 CA-C-O 118.299 -0.857 . . . . 0.0 113.165 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 63.1 Cg_exo -47.95 -47.57 18.64 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 122.176 1.917 . . . . 0.0 113.594 160.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.51 93.24 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 116.594 -0.275 . . . . 0.0 112.608 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' CYS . 22.8 tp -50.8 -56.61 11.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.043 1.337 . . . . 0.0 111.331 175.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 t -71.95 -32.16 67.03 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.148 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -70.2 -20.66 63.09 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.0 t-80 -75.08 -35.05 61.84 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.509 1.05 . . . . 0.0 108.882 170.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.0 mt -73.04 -20.45 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 C-N-CA 123.735 0.814 . . . . 0.0 110.123 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -85.49 -41.73 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.572 -0.705 . . . . 0.0 110.811 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -91.8 -62.66 1.38 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.982 0.513 . . . . 0.0 112.222 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.08 20.68 12.63 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.871 0.869 . . . . 0.0 112.279 -167.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 61' ' ' TYR . 1.5 m-70 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.582 1.153 . . . . 0.0 109.315 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -156.61 131.41 8.94 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.222 1.009 . . . . 0.0 108.909 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.15 143.21 31.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.551 0.74 . . . . 0.0 109.596 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 38' ' ' PHE . 12.7 t -62.36 117.36 29.78 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.242 0.617 . . . . 0.0 109.634 170.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 72.8 Cg_exo -46.65 -27.28 5.2 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 124.207 3.271 . . . . 0.0 116.258 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -94.7 -21.59 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.1 p -147.9 114.12 5.88 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.37 109.91 2.78 Favored Glycine 0 C--N 1.358 1.77 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -161.67 116.79 2.01 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -169.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -77.6 115.4 17.33 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.549 0.531 . . . . 0.0 111.596 -170.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 62.4 m-85 -110.1 130.09 55.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 170.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.46 -25.73 26.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.903 0.481 . . . . 0.0 109.816 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -95.81 132.17 41.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.892 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -64.46 -26.64 68.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.104 0.962 . . . . 0.0 111.401 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.58 -50.42 67.95 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.474 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.78 62.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.581 0.753 . . . . 0.0 111.411 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.454 HE22 ' HD3' ' A' ' 32' ' ' PRO . 51.4 tp60 -56.61 -55.54 32.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.974 0.909 . . . . 0.0 110.712 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.7 -34.36 64.81 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.18 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.19 -27.63 69.49 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.606 0.362 . . . . 0.0 111.042 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.28 -60.25 3.64 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 32' ' ' PRO . 26.1 mt -63.1 -22.68 67.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.712 0.805 . . . . 0.0 112.662 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -84.8 -36.04 21.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.356 1.063 . . . . 0.0 112.081 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.7 mt -125.84 -61.86 1.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.725 -167.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.09 -7.93 57.56 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.667 0.787 . . . . 0.0 112.735 -167.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -156.51 40.81 0.35 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.733 1.213 . . . . 0.0 108.957 -173.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -20.47 27.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 113.988 -1.46 . . . . 0.0 113.006 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.34 -14.62 61.33 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.94 0.496 . . . . 0.0 112.204 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -101.11 -6.95 23.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.272 0.629 . . . . 0.0 111.604 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.53 145.19 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.002 0.521 . . . . 0.0 109.826 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.6 m-85 -125.84 96.82 36.92 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.769 0.828 . . . . 0.0 110.881 -173.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.1 Cg_endo -77.14 124.86 7.51 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 122.714 2.276 . . . . 0.0 112.135 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.7 t -66.93 101.75 0.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -50.27 -43.02 53.16 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.471 1.509 . . . . 0.0 114.868 -155.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.2 m-85 -79.75 -13.01 59.75 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.932 -165.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 p -133.56 145.25 55.56 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.717 0.807 . . . . 0.0 109.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.8 89.53 0.29 Allowed 'Trans proline' 0 CA--C 1.557 1.632 0 C-N-CA 121.685 1.59 . . . . 0.0 111.776 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.67 103.58 1.92 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.961 0.905 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 86.1 m -94.93 137.44 33.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.185 0.594 . . . . 0.0 111.183 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -113.29 167.3 10.67 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.213 1.005 . . . . 0.0 109.797 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.1 20.74 16.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.758 0.823 . . . . 0.0 109.81 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -160.32 140.86 11.77 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.221 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 32.2 t -68.75 -39.37 14.19 Favored Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 123.98 0.912 . . . . 0.0 112.865 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' SER . 23.8 Cg_endo -61.68 -33.57 85.82 Favored 'Trans proline' 0 C--N 1.393 2.911 0 CA-C-N 121.287 1.495 . . . . 0.0 111.382 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.542 ' HA2' ' HE ' ' A' ' 74' ' ' ARG . . . -63.44 -40.76 99.19 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 123.421 0.451 . . . . 0.0 112.551 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 57' ' ' PHE . 57.3 tp -54.85 -50.93 67.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.366 1.066 . . . . 0.0 110.415 172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.0 m -61.99 -38.79 89.93 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.326 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.542 ' HE ' ' HA2' ' A' ' 71' ' ' GLY . 50.2 mtm180 -65.97 -23.23 66.55 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.43 -53.79 11.21 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -53.72 -36.81 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.186 1.394 . . . . 0.0 112.069 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.58 -53.74 5.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.259 0.623 . . . . 0.0 112.033 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -90.83 -62.9 1.35 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -171.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.2 t -100.22 12.14 37.73 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.329 0.652 . . . . 0.0 111.818 -164.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.7 t-160 . . . . . 0 CA--C 1.561 1.376 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 78.9 m . . . . . 0 C--O 1.242 0.707 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.26 117.0 7.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.566 0.542 . . . . 0.0 109.694 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -103.8 120.83 41.78 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 30.6 t -58.16 106.65 0.73 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.164 0.986 . . . . 0.0 108.749 171.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.608 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.5 Cg_exo -46.37 -26.61 4.16 Favored 'Trans proline' 0 C--N 1.388 2.608 0 C-N-CA 124.143 3.228 . . . . 0.0 115.742 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 t -92.72 -19.96 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 C-N-CA 123.579 0.751 . . . . 0.0 111.456 -173.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -150.86 122.08 7.78 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.106 0.562 . . . . 0.0 109.641 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 112.84 5.21 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -164.99 129.38 2.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.767 0.827 . . . . 0.0 109.018 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 36.6 p -83.52 132.24 34.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 111.256 -173.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.14 128.08 37.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.987 0.915 . . . . 0.0 109.307 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.8 -22.73 19.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -90.07 123.89 34.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.212 1.005 . . . . 0.0 109.486 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 64.3 tttp -60.27 -46.06 91.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.66 0.784 . . . . 0.0 111.527 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.22 65.88 Favored Glycine 0 C--N 1.343 0.961 0 O-C-N 123.912 0.757 . . . . 0.0 113.982 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.65 80.61 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.581 0.752 . . . . 0.0 110.969 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.68 -43.92 83.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.94 0.896 . . . . 0.0 111.034 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 28.8 mm-40 -63.55 -55.74 21.43 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.737 0.815 . . . . 0.0 110.228 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.1 ptp180 -65.08 -24.63 67.51 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 123.88 0.737 . . . . 0.0 111.694 -175.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -67.49 -44.28 78.87 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.055 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HD2' ' A' ' 32' ' ' PRO . 69.5 mt -77.53 -63.48 1.37 Allowed 'General case' 0 C--O 1.212 -0.883 0 O-C-N 123.221 0.326 . . . . 0.0 111.416 -177.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.548 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 2.4 ptm180 -64.48 -20.19 66.03 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -172.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 mt -114.32 -66.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.74 0.416 . . . . 0.0 110.727 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.91 -27.16 57.56 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.528 0.731 . . . . 0.0 112.597 -168.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -138.95 44.0 2.05 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.187 0.995 . . . . 0.0 109.939 -169.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -81.76 3.05 27.2 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.964 -1.471 . . . . 0.0 112.69 -176.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.07 -46.11 82.53 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.312 0.645 . . . . 0.0 111.25 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.64 -42.51 11.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.064 0.546 . . . . 0.0 111.572 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -79.92 169.03 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.92 0.391 . . . . 0.0 110.557 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 93.1 m-85 -129.25 83.68 64.78 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.945 0.898 . . . . 0.0 110.252 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.5 Cg_exo -73.86 119.2 5.76 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 123.15 2.567 . . . . 0.0 111.575 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.4 t -63.61 102.14 0.41 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -51.75 -41.38 61.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -149.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 22.3 m-85 -81.67 -7.08 59.55 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.369 0.531 . . . . 0.0 111.251 -171.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 20.2 p -132.5 149.54 73.36 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.606 0.762 . . . . 0.0 109.548 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.72 1.24 3.94 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.844 2.363 . . . . 0.0 114.567 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.14 104.17 0.55 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.594 0.758 . . . . 0.0 110.445 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 28.8 m -105.88 137.71 43.3 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.04 0.936 . . . . 0.0 110.566 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.26 168.48 9.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.283 1.033 . . . . 0.0 109.547 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HD1' HG12 ' A' ' 56' ' ' VAL . 17.8 t80 -115.24 8.53 15.53 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.153 0.581 . . . . 0.0 109.593 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -142.56 142.82 32.24 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 123.523 0.729 . . . . 0.0 109.904 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 14.7 m -66.67 -42.0 42.43 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 124.609 1.164 . . . . 0.0 112.786 -176.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.1 -34.56 94.4 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 121.654 1.569 . . . . 0.0 112.317 170.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -41.9 98.73 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 123.394 0.434 . . . . 0.0 112.589 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 69' ' ' SER . 52.6 tp -51.22 -47.76 62.23 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.845 1.258 . . . . 0.0 111.262 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -74.09 -31.36 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.624 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -66.75 -28.74 68.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.89 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 14.6 t-80 -68.93 -34.22 75.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.817 0.735 . . . . 0.0 110.199 176.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.692 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 57.0 mt -63.89 -54.69 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 124.305 1.003 . . . . 0.0 109.7 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -67.6 -25.5 65.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.575 0.75 . . . . 0.0 112.628 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.67 -60.69 1.99 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.165 0.586 . . . . 0.0 111.821 -175.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -149.15 31.93 0.75 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.981 0.512 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.1 t-160 . . . . . 0 CA--C 1.551 0.983 0 CA-C-O 120.708 0.29 . . . . 0.0 110.974 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.236 0.384 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -148.59 134.74 19.28 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.784 0.833 . . . . 0.0 110.55 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.4 mt -126.98 135.44 50.86 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 174.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 34.6 t -56.87 109.45 1.72 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 118.63 0.65 . . . . 0.0 109.597 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -37.95 -37.91 0.65 Allowed 'Trans proline' 0 C--N 1.392 2.825 1 C-N-CA 125.362 4.041 . . . . 0.0 117.056 -166.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 t -92.45 -22.83 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 C-N-CA 123.12 0.568 . . . . 0.0 112.02 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.5 p -133.26 126.91 32.53 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.857 0.463 . . . . 0.0 110.588 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.86 111.28 3.79 Favored Glycine 0 C--N 1.362 1.982 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -160.29 109.2 1.71 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -163.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 m -69.05 116.75 9.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.949 0.9 . . . . 0.0 112.836 -168.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -130.88 160.08 35.51 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 123.9 0.88 . . . . 0.0 109.886 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.74 -55.46 2.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.29 1.036 . . . . 0.0 108.612 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.3 t -75.45 136.18 40.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.949 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.1 ttpt -72.9 -21.97 60.82 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.196 0.31 . . . . 0.0 110.597 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 -33.32 72.55 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -80.93 -23.07 39.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.206 1.002 . . . . 0.0 111.784 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.9 -44.46 63.67 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 0.0 110.112 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 22.7 mm-40 -75.18 -25.69 58.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 10.7 ptp180 -61.12 -40.57 94.3 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 123.325 0.391 . . . . 0.0 110.31 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t-80 -68.66 -36.37 78.48 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 95.9 mt -67.16 -39.89 86.58 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.083 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' HD3' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -85.45 -19.23 31.6 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 178.245 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 82.4 mt -93.18 -81.45 0.36 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.69 0.396 . . . . 0.0 111.521 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.417 HD12 ' NE2' ' A' ' 47' ' ' HIS . 80.3 mt -89.47 -47.86 7.71 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.554 . . . . 0.0 110.887 -168.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -83.08 39.72 0.66 Allowed 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.522 1.129 . . . . 0.0 111.195 173.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' LEU . . . -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.132 1.373 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.51 -20.26 64.57 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.261 0.624 . . . . 0.0 111.096 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -85.27 -11.3 55.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.658 0.783 . . . . 0.0 112.23 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.9 163.07 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 120.929 0.395 . . . . 0.0 110.164 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -131.18 83.32 60.51 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.618 1.167 . . . . 0.0 108.859 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.11 124.95 6.24 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.616 2.21 . . . . 0.0 112.118 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 15.4 t -66.26 102.98 0.91 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.85 -39.42 53.56 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.178 1.791 . . . . 0.0 114.841 -154.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.38 -9.1 59.14 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.545 0.738 . . . . 0.0 112.032 -170.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.4 p -132.79 150.82 76.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.015 0.926 . . . . 0.0 110.457 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.23 80.69 2.63 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.197 1.931 . . . . 0.0 111.282 173.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.59 106.05 3.52 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.267 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 p -91.88 136.2 33.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.446 0.641 . . . . 0.0 110.983 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -119.29 149.1 42.35 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.859 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -97.08 13.11 30.25 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 122.177 -0.327 . . . . 0.0 110.673 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 m -139.92 136.89 34.34 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.97 0.908 . . . . 0.0 109.678 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.7 p -71.01 -34.58 3.55 Favored Pre-proline 0 CA--C 1.568 1.662 0 C-N-CA 123.729 0.811 . . . . 0.0 112.512 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 -36.21 78.08 Favored 'Trans proline' 0 C--N 1.395 3.021 0 CA-C-N 121.358 1.521 . . . . 0.0 111.825 165.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.05 88.3 Favored Glycine 0 C--N 1.36 1.89 0 O-C-N 123.649 0.593 . . . . 0.0 112.664 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.67 -49.84 76.16 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.474 1.11 . . . . 0.0 109.887 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 17.8 m -69.31 -24.11 63.89 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.766 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.6 mmp_? -62.17 -50.84 70.25 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.616 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 6.2 t-80 -69.97 -21.22 63.26 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 117.89 0.314 . . . . 0.0 111.13 -177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 73' ' ' THR . 81.6 mt -66.74 -65.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.18 -13.52 60.37 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 85.0 tttt -91.9 -61.23 1.67 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.867 0.867 . . . . 0.0 111.233 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 75.4 m -138.41 11.21 2.76 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -167.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 . . . . . 0 N--CA 1.492 1.644 0 C-N-CA 123.202 0.601 . . . . 0.0 111.034 172.574 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.453 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 35.1 m80 -140.41 141.1 35.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.08 0.952 . . . . 0.0 110.02 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 71.7 mt -134.9 138.62 44.28 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 38' ' ' PHE . 53.1 t -58.47 109.96 2.24 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 173.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.579 ' HD2' HD21 ' A' ' 48' ' ' LEU . 83.6 Cg_exo -48.89 -35.25 30.87 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 123.758 2.972 . . . . 0.0 115.039 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' HB ' ' CD2' ' A' ' 52' ' ' HIS . 2.6 t -81.9 -31.0 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -175.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 14.3 p -142.61 112.07 6.7 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.18 112.16 2.44 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.059 0.225 . . . . 0.0 112.777 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 9.0 tp10 -147.16 122.64 10.39 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -70.73 120.42 16.3 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.399 0.68 . . . . 0.0 112.517 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 39.5 m-85 -136.79 145.97 45.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.555 1.142 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.31 -46.13 4.49 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.822 -0.806 . . . . 0.0 108.822 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -65.73 132.19 48.15 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.166 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 62.4 pttt -71.18 -24.94 62.33 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.152 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -38.18 74.43 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.376 0.423 . . . . 0.0 112.217 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.25 63.52 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.379 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 29' ' ' HIS . 4.7 tp-100 -59.05 -51.43 70.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.844 0.857 . . . . 0.0 110.658 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 9.0 mm-40 -76.01 -17.54 59.64 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.723 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -60.13 -52.34 65.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.558 0.743 . . . . 0.0 111.902 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -68.6 -31.14 70.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.579 HD21 ' HD2' ' A' ' 32' ' ' PRO . 59.0 mt -70.01 -37.81 75.77 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.27 -26.58 33.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.869 0.304 . . . . 0.0 110.718 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -96.94 -82.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.821 0.448 . . . . 0.0 111.682 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.94 2.11 56.18 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -166.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.455 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 1.8 m-70 -138.69 37.65 2.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.883 0.849 . . . . 0.0 109.784 173.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -69.3 -14.2 62.81 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.146 177.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.19 64.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.443 1.097 . . . . 0.0 112.702 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -108.94 -14.75 14.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.85 0.46 . . . . 0.0 112.169 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 53' ' ' ALA . 32.0 m -98.45 149.53 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 72' ' ' LEU . 94.0 m-85 -133.4 83.91 48.17 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 123.963 0.905 . . . . 0.0 109.3 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 57.6 Cg_endo -70.35 124.12 10.54 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.549 2.166 . . . . 0.0 111.733 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.5 t -56.18 114.09 1.82 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -45.58 -34.21 3.24 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.055 1.342 . . . . 0.0 114.571 -164.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.26 -28.12 14.21 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.155 0.582 . . . . 0.0 112.295 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.8 p -133.85 138.41 30.77 Favored Pre-proline 0 N--CA 1.491 1.59 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -62.81 9.68 0.1 Allowed 'Trans proline' 0 N--CA 1.51 2.473 0 C-N-CA 123.938 3.092 . . . . 0.0 116.074 -172.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.91 97.39 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.636 0.774 . . . . 0.0 110.311 167.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.3 m -95.41 111.72 23.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.174 0.589 . . . . 0.0 110.591 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -94.79 123.35 38.19 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 110.146 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -82.16 47.86 1.18 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.1 p -158.6 136.29 10.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.16 0.584 . . . . 0.0 110.08 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 m -60.71 -47.37 96.12 Favored Pre-proline 0 CA--C 1.563 1.473 0 C-N-CA 123.601 0.76 . . . . 0.0 112.096 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.56 -40.05 19.35 Favored 'Trans proline' 0 C--N 1.387 2.603 0 CA-C-N 121.24 1.478 . . . . 0.0 112.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.74 -36.28 71.44 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.489 0.493 . . . . 0.0 114.149 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 57' ' ' PHE . 55.7 tp -58.89 -52.81 64.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.777 0.831 . . . . 0.0 110.351 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 m -65.33 -33.88 77.01 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.268 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.01 -39.65 90.42 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.484 0.714 . . . . 0.0 112.07 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -69.24 -57.52 5.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.5 mt -56.56 -35.22 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 124.215 1.006 . . . . 0.0 112.877 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -87.35 -48.19 8.19 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -92.57 -61.88 1.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -171.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 45.8 t -92.64 1.28 57.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.29 0.636 . . . . 0.0 111.954 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.563 1.469 0 C-N-CA 123.262 0.625 . . . . 0.0 109.62 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.859 0.361 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.49 138.15 34.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.154 0.982 . . . . 0.0 109.774 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.0 mt -133.09 140.8 47.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.617 0.767 . . . . 0.0 109.986 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.6 t -80.99 100.51 0.7 Allowed Pre-proline 0 N--CA 1.479 0.989 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 166.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD2' HD21 ' A' ' 48' ' ' LEU . 24.4 Cg_endo -56.43 -19.54 29.33 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.366 2.711 . . . . 0.0 114.79 -169.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 t -82.03 -27.34 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 123.363 0.665 . . . . 0.0 111.453 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.6 129.22 20.3 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.015 0.526 . . . . 0.0 110.338 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 109.64 2.65 Favored Glycine 0 C--N 1.353 1.508 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -164.91 119.41 1.32 Allowed 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.059 0.943 . . . . 0.0 109.103 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.5 p -79.69 143.01 34.98 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.584 0.754 . . . . 0.0 110.704 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.98 131.72 27.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.508 1.123 . . . . 0.0 109.43 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.05 15.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -81.93 157.05 24.45 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.084 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -74.18 -54.45 7.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.889 0.876 . . . . 0.0 110.027 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.37 -28.76 67.7 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 124.248 0.968 . . . . 0.0 113.556 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.53 88.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.648 0.779 . . . . 0.0 111.078 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -65.77 -50.19 65.64 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.31 0.644 . . . . 0.0 110.316 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.533 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -30.05 63.15 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.435 0.459 . . . . 0.0 110.864 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -70.04 -21.36 63.19 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.579 178.214 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.9 mt -87.53 -65.46 1.01 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.657 0.783 . . . . 0.0 110.919 171.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -53.6 -43.58 68.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.439 1.495 . . . . 0.0 111.445 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.56 -70.36 0.58 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.758 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.7 -68.78 0.65 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.03 0.532 . . . . 0.0 112.014 -167.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -90.8 61.33 4.72 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.504 1.122 . . . . 0.0 111.383 -171.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -96.76 1.27 50.65 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.423 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -21.19 55.77 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.847 0.459 . . . . 0.0 111.578 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -109.61 -10.95 14.82 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.13 0.572 . . . . 0.0 111.869 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 53' ' ' ALA . 20.2 m -111.18 155.64 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 121.246 0.545 . . . . 0.0 109.724 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.12 84.58 47.77 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 109.556 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 65.6 Cg_endo -73.34 116.03 4.55 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.364 2.042 . . . . 0.0 111.339 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 37.9 t -60.14 102.54 0.17 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -40.02 -50.23 2.55 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -151.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -84.39 -10.66 57.35 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 -164.594 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 15.6 p -131.36 161.6 61.02 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.192 0.997 . . . . 0.0 109.509 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -77.5 -0.27 10.46 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.338 2.025 . . . . 0.0 114.005 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -64.66 97.98 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.955 0.902 . . . . 0.0 110.728 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.0 m -103.03 139.38 38.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.806 0.842 . . . . 0.0 110.034 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -126.28 149.59 49.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.089 0.956 . . . . 0.0 109.578 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -91.52 18.03 7.88 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.987 0.515 . . . . 0.0 110.835 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 70' ' ' PRO . 50.2 m -147.78 136.43 21.79 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.841 0.856 . . . . 0.0 109.762 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 22.9 t -67.52 -35.59 8.56 Favored Pre-proline 0 CA--C 1.566 1.566 0 C-N-CA 123.911 0.885 . . . . 0.0 112.144 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' A' ' 68' ' ' SER . 7.2 Cg_endo -51.59 -52.84 8.14 Favored 'Trans proline' 0 C--N 1.403 3.431 0 C-N-CA 122.182 1.921 . . . . 0.0 111.693 165.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.37 -35.76 89.33 Favored Glycine 0 C--N 1.358 1.759 0 O-C-N 123.883 0.739 . . . . 0.0 113.67 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 tp -54.09 -55.32 28.63 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -75.01 -24.69 58.43 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.831 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -61.28 -38.72 87.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.982 0.513 . . . . 0.0 111.444 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.8 t-80 -65.24 -38.83 91.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.1 mt -58.94 -62.96 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.359 1.064 . . . . 0.0 111.024 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -67.54 -32.15 72.73 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.673 0.789 . . . . 0.0 112.747 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.675 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 34.8 ttpt -90.19 -59.59 2.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.324 0.649 . . . . 0.0 111.978 -172.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 80.6 m -142.21 42.95 1.66 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 4.0 t60 . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -94.18 115.09 27.32 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.32 137.17 40.92 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.823 0.449 . . . . 0.0 110.3 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 20.2 t -55.53 108.59 1.22 Allowed Pre-proline 0 N--CA 1.483 1.177 0 C-N-CA 123.736 0.814 . . . . 0.0 108.822 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' HD11 ' A' ' 48' ' ' LEU . 20.4 Cg_endo -57.09 -3.16 0.65 Allowed 'Trans proline' 0 N--CA 1.506 2.213 0 C-N-CA 123.943 3.095 . . . . 0.0 116.886 -166.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.46 -13.82 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-N 118.293 0.497 . . . . 0.0 111.493 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.0 p -144.07 125.62 14.93 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.595 0.758 . . . . 0.0 109.874 171.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.81 2.13 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -170.91 97.6 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -164.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 p -77.09 136.51 38.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.651 0.78 . . . . 0.0 112.618 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -131.76 148.59 52.58 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.259 1.024 . . . . 0.0 109.399 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.96 -29.85 62.21 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.229 0.612 . . . . 0.0 110.931 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -117.57 156.66 27.71 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.807 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.34 -22.68 47.66 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.99 -41.67 99.68 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 121.239 0.355 . . . . 0.0 112.662 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.77 -18.59 59.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.772 0.829 . . . . 0.0 111.142 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -78.96 -51.01 10.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.437 0.695 . . . . 0.0 110.749 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.611 ' HA ' HD12 ' A' ' 48' ' ' LEU . 23.3 mm-40 -68.91 -23.32 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.949 -173.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -39.03 76.43 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.117 0.261 . . . . 0.0 110.886 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 5.5 t-80 -66.46 -26.03 67.0 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.441 0.639 . . . . 0.0 109.829 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 45' ' ' GLU . 71.0 mt -74.46 -65.6 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.48 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.417 HH11 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -62.13 -19.45 63.04 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.002 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HH11 ' A' ' 49' ' ' ARG . 95.8 mt -79.13 -76.06 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.564 0.346 . . . . 0.0 110.683 171.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.0 mt -100.79 -52.93 3.19 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.042 0.537 . . . . 0.0 111.816 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -87.25 47.61 1.53 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.293 1.037 . . . . 0.0 112.501 -169.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -91.16 4.14 52.99 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.79 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.33 71.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.37 0.268 . . . . 0.0 111.32 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -82.18 -29.25 31.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.874 0.469 . . . . 0.0 111.826 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HD13 ' A' ' 48' ' ' LEU . 32.1 m -103.82 159.02 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.611 0.719 . . . . 0.0 112.24 -176.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 92.4 m-85 -132.68 85.33 47.65 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.282 1.033 . . . . 0.0 109.779 -172.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.93 117.41 4.91 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.591 2.194 . . . . 0.0 112.532 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -67.91 99.07 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 165.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -62.89 -26.45 68.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -151.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.45 -23.31 65.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.715 0.806 . . . . 0.0 111.187 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 25.0 p -124.42 137.79 29.85 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.395 1.078 . . . . 0.0 108.963 175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.65 76.87 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 122.345 2.03 . . . . 0.0 111.486 171.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.08 107.33 4.04 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.113 0.965 . . . . 0.0 109.657 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 p -93.01 140.73 29.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.659 0.742 . . . . 0.0 111.598 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.03 168.46 9.41 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.308 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -116.86 6.32 13.1 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.297 0.57 . . . . 0.0 109.926 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.8 p -133.33 139.25 46.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.312 1.045 . . . . 0.0 110.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 15.8 m -62.59 -39.99 60.37 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.453 176.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' SER . 13.5 Cg_endo -56.25 -45.6 36.7 Favored 'Trans proline' 0 C--N 1.407 3.606 0 C-N-CA 122.572 2.181 . . . . 0.0 112.028 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.09 -38.5 93.14 Favored Glycine 0 C--N 1.357 1.743 0 O-C-N 123.452 0.47 . . . . 0.0 113.268 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.0 tp -54.94 -55.91 25.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.367 1.067 . . . . 0.0 110.867 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -68.45 -26.02 65.29 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.527 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -72.11 -39.03 69.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.122 0.569 . . . . 0.0 111.479 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.4 t-80 -72.99 -22.34 60.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.29 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.58 -66.98 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -45.4 -41.89 9.66 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.679 1.191 . . . . 0.0 113.326 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -92.62 -60.01 1.93 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.975 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -101.7 -15.72 16.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -161.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.717 179.42 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -82.87 116.25 22.1 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -118.11 127.64 53.97 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 13.7 t -55.51 107.43 0.88 Allowed Pre-proline 0 N--CA 1.484 1.234 0 O-C-N 124.141 0.901 . . . . 0.0 109.232 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HD2' HD21 ' A' ' 48' ' ' LEU . 65.2 Cg_exo -46.46 -26.85 4.48 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.772 2.981 . . . . 0.0 116.014 -174.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 55' ' ' GLN . 6.6 t -84.78 -21.19 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.427 0 C-N-CA 123.046 0.538 . . . . 0.0 111.641 -177.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.9 p -152.0 119.02 5.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.466 0.706 . . . . 0.0 109.551 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.94 2.21 Favored Glycine 0 C--N 1.363 2.048 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 121.74 6.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -167.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -66.61 122.73 18.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.294 0.996 . . . . 0.0 111.968 -170.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -136.8 136.9 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 0.0 108.812 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.67 23.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.326 0.65 . . . . 0.0 110.457 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -99.92 152.37 20.24 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.016 0.927 . . . . 0.0 111.538 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.82 -51.17 35.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.016 0.926 . . . . 0.0 110.592 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.89 -21.63 67.76 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.266 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -71.6 -35.83 70.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.364 0.666 . . . . 0.0 110.729 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.52 -48.47 72.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.237 170.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.3 -27.92 66.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.463 -173.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 12.9 ptm180 -69.93 -32.47 70.76 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 118.17 0.441 . . . . 0.0 110.513 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -69.36 -39.42 78.1 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.326 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD21 ' HD2' ' A' ' 32' ' ' PRO . 92.4 mt -70.38 -38.4 74.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.076 0.95 . . . . 0.0 112.068 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -39.29 23.89 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.098 0.559 . . . . 0.0 110.65 -172.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.2 -59.02 1.8 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.59 0.756 . . . . 0.0 111.574 -172.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.53 -7.55 25.77 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -165.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.88 37.1 0.87 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.984 -175.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.18 85.95 3.64 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.058 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.2 -56.33 0.09 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.689 0.796 . . . . 0.0 109.988 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 33' ' ' VAL . 84.7 mm-40 -90.79 -0.73 57.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.994 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 48' ' ' LEU . 32.2 m -109.44 145.81 15.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.607 0.763 . . . . 0.0 109.68 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 88.5 m-85 -133.16 82.52 53.67 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 124.22 1.008 . . . . 0.0 110.181 -172.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -78.32 116.3 3.86 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.8 2.333 . . . . 0.0 111.766 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.5 t -57.84 109.58 0.75 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -32.44 -46.65 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -159.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -84.85 -8.63 58.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 28.1 p -133.52 153.13 80.19 Favored Pre-proline 0 N--CA 1.482 1.169 0 C-N-CA 123.154 0.582 . . . . 0.0 110.449 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.57 9.05 2.36 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.798 2.332 . . . . 0.0 113.341 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.489 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -61.63 93.66 0.04 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.875 0.87 . . . . 0.0 109.682 171.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -92.14 113.41 25.67 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.191 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.47 167.25 12.74 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.107 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -121.8 25.45 9.2 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -144.12 135.73 25.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.498 1.119 . . . . 0.0 108.844 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -64.61 -41.18 55.82 Favored Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 124.032 0.933 . . . . 0.0 111.864 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.76 -51.56 10.84 Favored 'Trans proline' 0 C--N 1.405 3.509 0 C-N-CA 122.367 2.044 . . . . 0.0 111.789 167.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.32 87.93 Favored Glycine 0 C--N 1.359 1.859 0 O-C-N 123.71 0.631 . . . . 0.0 113.554 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.9 tp -54.12 -57.07 12.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.603 1.161 . . . . 0.0 110.903 173.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -72.89 -22.85 60.69 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.171 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.85 -51.66 66.14 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.021 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.51 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 t-80 -66.68 -21.95 66.09 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 118.222 0.465 . . . . 0.0 110.698 -176.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.9 mt -70.77 -57.35 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.042 0.937 . . . . 0.0 110.626 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.34 -16.57 62.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.981 0.512 . . . . 0.0 111.31 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -90.23 -51.15 5.59 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.161 0.985 . . . . 0.0 110.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.9 t -147.08 4.18 0.82 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 119.181 0.9 . . . . 0.0 112.441 -178.042 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.209 0.077 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -73.22 119.51 17.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.32 0.581 . . . . 0.0 110.631 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.1 145.47 28.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.149 0.98 . . . . 0.0 109.075 -174.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.2 t -56.04 101.47 0.26 Allowed Pre-proline 0 N--CA 1.485 1.302 0 O-C-N 123.908 0.755 . . . . 0.0 109.255 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HD2' HD11 ' A' ' 48' ' ' LEU . 40.5 Cg_endo -62.05 -1.62 2.4 Favored 'Trans proline' 0 C--N 1.375 1.921 0 C-N-CA 123.79 2.993 . . . . 0.0 116.759 -159.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.8 t -103.27 -31.38 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 CA-C-N 118.588 0.631 . . . . 0.0 111.23 175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.2 p -125.28 131.36 53.1 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 122.985 0.514 . . . . 0.0 110.037 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.19 110.46 2.71 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -175.81 93.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -164.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 p -76.81 140.51 40.72 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.04 0.936 . . . . 0.0 112.725 -172.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -138.04 136.33 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.456 1.102 . . . . 0.0 110.512 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.97 -33.47 33.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.793 0.837 . . . . 0.0 110.226 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.4 t -91.29 140.06 30.15 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.54 0.736 . . . . 0.0 110.194 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -61.74 -48.29 81.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.658 0.783 . . . . 0.0 110.243 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.75 77.36 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.97 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.31 68.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.238 0.615 . . . . 0.0 111.104 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -70.65 -48.82 53.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.962 0.505 . . . . 0.0 110.233 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.09 -38.69 89.78 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.712 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -68.59 -26.55 65.43 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.533 0.52 . . . . 0.0 111.782 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.8 t-80 -68.91 -50.13 52.18 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HD2' ' A' ' 32' ' ' PRO . 97.1 mt -59.98 -34.11 72.85 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.996 0.918 . . . . 0.0 112.168 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -80.31 -38.06 31.44 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.808 0.843 . . . . 0.0 109.575 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.52 -71.36 0.76 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.299 0.64 . . . . 0.0 111.418 -171.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -89.9 0.54 57.0 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.285 0.634 . . . . 0.0 112.28 -166.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -140.32 26.9 2.15 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.116 0.966 . . . . 0.0 108.935 -179.392 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.14 81.57 1.28 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.218 1.007 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.24 -46.91 0.07 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.694 0.798 . . . . 0.0 110.113 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -89.14 0.85 56.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.416 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 48' ' ' LEU . 28.4 m -105.79 150.22 8.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 123.375 0.67 . . . . 0.0 110.795 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.9 m-85 -129.93 88.72 47.99 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.102 1.361 . . . . 0.0 109.46 -177.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 86.1 Cg_endo -79.58 131.84 9.6 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.18 2.586 . . . . 0.0 113.232 -178.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.0 t -69.97 107.37 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -56.08 -27.58 54.18 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.605 1.562 . . . . 0.0 114.117 -162.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.01 -19.49 31.94 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.291 0.636 . . . . 0.0 112.021 -170.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.51 157.46 78.24 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.85 0.86 . . . . 0.0 109.805 178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.51 67.53 7.79 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.362 2.041 . . . . 0.0 111.365 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.81 94.7 3.79 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.419 1.088 . . . . 0.0 108.737 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 38.6 m -92.34 111.57 23.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.531 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.03 151.7 21.53 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -89.16 -10.99 45.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.106 0.562 . . . . 0.0 110.33 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.429 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 20.3 m -130.86 145.93 52.14 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.591 0.756 . . . . 0.0 110.578 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.7 p -69.2 -30.68 2.33 Favored Pre-proline 0 CA--C 1.571 1.767 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 75.1 Cg_exo -54.98 -51.83 9.38 Favored 'Trans proline' 0 C--N 1.402 3.374 0 CA-C-N 122.083 1.78 . . . . 0.0 111.993 170.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.89 -31.5 72.29 Favored Glycine 0 C--N 1.359 1.852 0 O-C-N 123.98 0.8 . . . . 0.0 113.509 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -56.75 -57.6 11.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.829 0.852 . . . . 0.0 110.479 172.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -68.02 -30.35 69.57 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.117 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.58 -37.22 79.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.436 0.694 . . . . 0.0 111.073 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.1 t-80 -69.37 -26.45 64.67 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.076 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.41 -64.07 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -55.88 -35.22 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.09 0.956 . . . . 0.0 112.65 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -93.47 -60.57 1.74 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.439 0.696 . . . . 0.0 112.343 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.0 t -118.61 9.05 12.1 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -161.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.597 0.759 . . . . 0.0 111.237 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 18.8 m . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -71.68 128.51 36.03 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.046 0.45 . . . . 0.0 111.345 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.7 mt -90.23 141.74 28.41 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.958 0.903 . . . . 0.0 110.866 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -65.93 111.87 7.5 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 166.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' HD21 ' A' ' 48' ' ' LEU . 89.4 Cg_endo -72.8 26.3 0.29 Allowed 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 123.067 2.511 . . . . 0.0 114.939 -169.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.47 ' HB ' ' CD2' ' A' ' 52' ' ' HIS . 14.4 t -129.12 -16.78 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 C-N-CA 124.138 0.975 . . . . 0.0 110.138 172.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -147.12 141.05 25.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.287 0.635 . . . . 0.0 111.131 176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.74 109.65 2.9 Favored Glycine 0 C--N 1.357 1.729 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -177.27 108.18 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -162.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 7.4 t -102.49 136.34 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.52 0.728 . . . . 0.0 111.184 -169.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.77 136.46 42.62 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.567 1.147 . . . . 0.0 110.154 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.46 75.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.849 0.86 . . . . 0.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 m -103.29 126.67 50.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -69.97 -16.03 63.13 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.327 0.651 . . . . 0.0 111.841 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -36.72 90.4 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.03 -21.27 60.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.784 0.833 . . . . 0.0 111.085 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -42.19 17.24 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.154 0.982 . . . . 0.0 110.459 177.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -69.63 -33.31 72.45 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.452 1.101 . . . . 0.0 111.056 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 13.4 ptm180 -65.91 -32.79 74.5 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.7 91.97 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.8 mt -68.34 -51.35 45.47 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.728 0.643 . . . . 0.0 112.135 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 40.0 ptt180 -75.06 -20.81 59.36 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.77 -77.7 0.59 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.83 0.452 . . . . 0.0 110.781 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.32 -3.37 55.22 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.47 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -147.47 34.26 0.87 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.653 0.781 . . . . 0.0 111.613 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 73.31 8.17 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.825 0.85 . . . . 0.0 110.204 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.65 -49.54 0.16 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 110.207 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -85.46 -26.6 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.854 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.0 m -88.52 143.26 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 122.61 0.364 . . . . 0.0 110.257 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.0 m-85 -126.5 84.41 62.44 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.326 1.05 . . . . 0.0 109.606 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.4 Cg_endo -73.15 126.66 11.32 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.465 2.11 . . . . 0.0 111.493 177.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 72' ' ' LEU . 36.1 t -52.68 103.1 0.06 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.735 0.814 . . . . 0.0 109.298 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -46.07 -30.76 1.99 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -159.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -84.23 -36.64 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 0.0 111.595 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.82 139.25 31.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 C-N-CA 122.951 0.5 . . . . 0.0 110.681 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -63.14 6.73 0.2 Allowed 'Trans proline' 0 N--CA 1.511 2.52 0 C-N-CA 123.99 3.127 . . . . 0.0 115.791 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.42 103.81 0.12 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.882 0.873 . . . . 0.0 110.521 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 46.5 m -91.89 117.65 29.99 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 111.184 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -99.78 168.91 9.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.354 1.061 . . . . 0.0 109.997 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -123.28 16.39 9.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.137 0.975 . . . . 0.0 109.998 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 m -147.42 145.32 29.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.916 0.886 . . . . 0.0 109.114 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -63.0 -43.83 83.25 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.859 0.863 . . . . 0.0 112.297 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.14 -25.58 72.88 Favored 'Trans proline' 0 C--N 1.393 2.912 0 CA-C-N 121.106 1.431 . . . . 0.0 112.595 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -43.44 85.26 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.517 0.511 . . . . 0.0 112.237 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 59' ' ' CYS . 45.4 tp -58.7 -50.41 74.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.916 1.286 . . . . 0.0 110.586 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -65.6 -47.2 76.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.504 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -61.73 -30.64 70.91 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.855 -167.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.452 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.9 t-80 -64.74 -40.65 95.68 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 53.9 mt -66.72 -35.95 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 124.2 1.0 . . . . 0.0 110.997 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -84.18 -36.68 22.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.899 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 53.3 tttm -91.85 -58.78 2.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.692 0.797 . . . . 0.0 111.566 -169.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 74.6 m -128.56 24.29 5.81 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.465 0.706 . . . . 0.0 112.436 -168.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 1.3 t-80 . . . . . 0 CA--C 1.56 1.356 0 C-N-CA 122.785 0.434 . . . . 0.0 110.781 173.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -73.73 114.86 12.47 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 45.7 mt -97.7 128.48 44.41 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.035 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 1.6 t -54.21 94.89 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.769 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -24.34 -48.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 1 C-N-CA 126.185 4.59 . . . . 0.0 116.805 -155.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.72 -50.13 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.002 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.95 133.86 49.99 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 122.191 -0.318 . . . . 0.0 110.564 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.95 110.38 3.41 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 172.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -154.46 121.71 5.68 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -79.93 113.38 18.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.224 0.61 . . . . 0.0 110.769 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -120.6 125.55 48.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 108.897 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.51 -36.75 52.23 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -86.28 119.23 26.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.51 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.37 -28.34 68.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.248 0.619 . . . . 0.0 111.312 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -37.26 93.64 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-O 120.985 0.214 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -23.51 61.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.413 0.685 . . . . 0.0 111.303 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -70.04 -44.61 68.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.792 0.837 . . . . 0.0 110.471 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.94 -40.59 91.51 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.774 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -68.36 -32.96 73.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.095 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t-80 -66.54 -26.63 67.23 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 120.934 0.397 . . . . 0.0 110.505 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.55 -64.88 0.79 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.193 171.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -59.95 -21.37 61.1 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 123.201 0.6 . . . . 0.0 112.345 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.65 -78.78 0.14 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.696 0.798 . . . . 0.0 111.088 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.05 -45.64 6.18 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.966 0.506 . . . . 0.0 111.83 -172.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -92.92 38.35 1.03 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.108 0.956 . . . . 0.0 111.685 -170.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -89.62 5.38 45.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.24 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.89 -39.44 30.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.43 -38.82 23.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.831 0.453 . . . . 0.0 111.368 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -87.2 151.69 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.345 0.403 . . . . 0.0 110.122 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.28 88.45 45.7 Favored Pre-proline 0 N--CA 1.482 1.17 0 C-N-CA 123.966 0.906 . . . . 0.0 109.84 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 146.22 49.27 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.541 2.161 . . . . 0.0 112.338 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.649 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 44.8 t -68.23 103.42 1.57 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 170.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 14.95 0.82 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -162.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.649 ' HD1' ' HG ' ' A' ' 59' ' ' CYS . 1.3 m-85 -114.12 -34.44 5.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.334 1.054 . . . . 0.0 109.065 -172.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -131.98 143.53 49.39 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.502 1.121 . . . . 0.0 108.44 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.58 87.94 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.556 2.17 . . . . 0.0 112.471 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.18 105.32 2.11 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.713 1.205 . . . . 0.0 108.711 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m -91.53 123.86 35.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.288 0.635 . . . . 0.0 110.542 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.62 151.96 24.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -81.15 -21.65 39.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.819 0.448 . . . . 0.0 111.284 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -142.64 159.98 41.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.084 0.554 . . . . 0.0 111.652 -170.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -60.82 -42.17 86.0 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.744 1.218 . . . . 0.0 112.886 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -51.07 -45.82 34.49 Favored 'Trans proline' 0 C--N 1.4 3.248 0 C-N-CA 122.182 1.921 . . . . 0.0 112.778 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.89 94.53 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.427 0.454 . . . . 0.0 112.662 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.37 -52.4 65.51 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.244 1.018 . . . . 0.0 110.176 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m -67.88 -26.93 66.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.93 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -60.73 -41.31 95.08 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 123.242 0.617 . . . . 0.0 111.641 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.76 -46.32 72.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.67 -30.42 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.686 1.194 . . . . 0.0 111.27 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.55 -41.82 13.19 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.329 0.652 . . . . 0.0 112.248 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -90.81 -63.09 1.32 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.269 0.628 . . . . 0.0 112.616 -167.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.11 14.36 14.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.912 0.885 . . . . 0.0 110.773 -166.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.52 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.299 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 37.2 m . . . . . 0 CA--C 1.551 0.988 0 CA-C-O 121.005 0.431 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -80.05 118.63 21.94 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.233 0.54 . . . . 0.0 110.768 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 37' ' ' SER . 43.5 mt -90.31 142.22 27.94 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.616 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 t -68.22 104.83 0.76 Allowed Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 163.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD2' HD21 ' A' ' 48' ' ' LEU . 19.6 Cg_endo -54.5 -19.06 16.61 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 C-N-CA 123.674 2.916 . . . . 0.0 115.093 -167.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 52' ' ' HIS . 6.2 t -81.51 -34.78 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 123.514 0.726 . . . . 0.0 111.045 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.67 125.03 21.85 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.652 0.781 . . . . 0.0 109.729 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.81 110.62 2.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -167.66 110.39 0.64 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -170.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . 69.0 m -71.74 141.47 49.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.86 0.864 . . . . 0.0 111.504 -177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -137.83 128.06 26.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.948 0.899 . . . . 0.0 109.599 173.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.55 29.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.273 0.629 . . . . 0.0 110.802 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.4 m -98.8 141.96 30.94 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.576 0.75 . . . . 0.0 110.076 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -62.25 -46.82 87.13 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.09 72.57 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.693 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.45 -30.62 66.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.076 0.55 . . . . 0.0 110.681 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -70.83 -47.77 57.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.083 0.553 . . . . 0.0 109.869 173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.31 -38.38 86.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.916 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -67.4 -36.06 80.53 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.221 0.325 . . . . 0.0 111.143 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.97 -24.78 62.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.3 mt -85.2 -70.56 0.58 Allowed 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.654 0.596 . . . . 0.0 111.373 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.92 -25.3 68.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -169.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.22 -62.75 1.46 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -99.19 -52.08 3.63 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.461 ' HB3' HG21 ' A' ' 33' ' ' VAL . 20.5 m170 -107.63 49.65 0.8 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.585 1.154 . . . . 0.0 110.749 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.53 -11.11 59.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 113.992 -1.458 . . . . 0.0 112.646 -174.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.53 95.48 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.078 0.951 . . . . 0.0 112.766 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.34 -12.37 37.91 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.187 0.595 . . . . 0.0 112.522 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG11 HD13 ' A' ' 48' ' ' LEU . 26.8 m -107.32 170.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 122.78 0.432 . . . . 0.0 110.557 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -130.97 85.86 53.72 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 109.37 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 59.1 Cg_endo -71.25 128.57 14.84 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.255 1.97 . . . . 0.0 111.101 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.509 ' HA ' HD12 ' A' ' 72' ' ' LEU . 40.6 t -51.12 103.2 0.05 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -43.56 -36.49 2.11 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -161.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -88.6 -26.07 22.12 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.07 136.09 28.29 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.27 -176.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.49 95.1 0.12 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.08 2.52 . . . . 0.0 112.678 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.33 109.16 1.49 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.472 1.109 . . . . 0.0 108.787 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -91.2 135.58 33.68 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.39 0.614 . . . . 0.0 112.055 -174.571 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -122.5 125.21 45.31 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.755 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.33 8.53 5.94 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.305 0.574 . . . . 0.0 111.088 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -130.66 147.27 52.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.928 0.891 . . . . 0.0 110.447 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 16.4 m -66.2 -43.93 57.12 Favored Pre-proline 0 CA--C 1.572 1.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.86 -38.44 29.91 Favored 'Trans proline' 0 C--N 1.399 3.199 0 CA-C-N 121.743 1.658 . . . . 0.0 112.988 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.0 86.42 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.317 0.385 . . . . 0.0 113.297 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 59' ' ' CYS . 27.3 tp -50.76 -56.87 10.04 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.002 1.321 . . . . 0.0 111.414 174.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -72.1 -35.52 69.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.026 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -68.95 -20.18 64.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.273 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 28.2 t-80 -66.21 -41.44 90.12 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.386 0.994 . . . . 0.0 109.11 173.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 25.8 mt -67.69 -38.84 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.889 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.68 -34.41 58.22 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.49 -61.94 1.75 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.4 t -140.62 11.05 2.27 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -166.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 1.3 t-80 . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 37' ' ' SER . 19.7 m . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -80.34 115.17 19.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 168.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.37 135.72 37.84 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.154 0.581 . . . . 0.0 109.995 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 14.1 t -57.09 106.68 0.72 Allowed Pre-proline 0 N--CA 1.485 1.28 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.3 Cg_exo -36.01 -42.25 0.57 Allowed 'Trans proline' 0 C--N 1.382 2.311 1 C-N-CA 125.345 4.03 . . . . 0.0 116.633 -161.004 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.607 HG11 ' HG3' ' A' ' 55' ' ' GLN . 15.9 t -85.68 -31.2 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 C-N-CA 123.193 0.597 . . . . 0.0 112.129 -171.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.52 134.2 55.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.859 -0.526 . . . . 0.0 110.996 178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.36 110.07 3.02 Favored Glycine 0 C--N 1.349 1.277 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 171.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -168.14 111.06 0.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -170.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.494 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 39.2 m -83.47 133.56 34.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 -167.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.48 143.77 43.99 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.076 1.35 . . . . 0.0 108.216 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.88 -48.23 13.82 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.174 0.512 . . . . 0.0 109.658 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 m -81.83 136.55 35.38 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.135 0.974 . . . . 0.0 110.512 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -75.72 -22.92 56.12 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.201 0.6 . . . . 0.0 110.883 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.98 -33.8 85.0 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.22 59.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.55 0.74 . . . . 0.0 110.66 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.04 -52.78 63.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.338 0.655 . . . . 0.0 110.586 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -15.78 59.03 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.724 -176.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.31 85.45 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 122.422 0.289 . . . . 0.0 110.545 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.6 t-80 -71.06 -22.61 62.1 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 117.537 0.153 . . . . 0.0 110.832 -177.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HB3' HG21 ' A' ' 56' ' ' VAL . 93.7 mt -67.51 -66.26 0.58 Allowed 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.847 0.717 . . . . 0.0 109.676 175.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -29.52 60.74 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.04 -67.96 0.68 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.606 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.53 -34.93 5.4 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -168.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.4 23.73 8.13 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.581 0.752 . . . . 0.0 111.721 -175.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.86 -9.47 59.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.458 1.103 . . . . 0.0 111.195 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.82 -24.88 64.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.571 0.748 . . . . 0.0 110.544 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.607 ' HG3' HG11 ' A' ' 33' ' ' VAL . 15.3 mm-40 -98.12 -45.81 6.09 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.762 0.825 . . . . 0.0 111.052 -177.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 48' ' ' LEU . 33.5 m -90.33 152.18 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.502 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.7 m-85 -125.91 85.93 58.53 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.91 0.884 . . . . 0.0 110.681 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 72.3 Cg_endo -74.93 130.09 13.02 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.77 2.314 . . . . 0.0 112.335 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 7.1 t -68.89 101.66 1.41 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -59.38 -20.46 54.96 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 125.1 1.36 . . . . 0.0 114.269 -160.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.37 -22.18 52.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.217 1.007 . . . . 0.0 110.788 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.5 p -132.53 161.14 65.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.689 1.196 . . . . 0.0 109.724 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.6 21.06 0.58 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.342 2.028 . . . . 0.0 114.417 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.2 101.28 9.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.921 0.888 . . . . 0.0 109.815 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 83.7 m -91.91 114.94 27.62 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.982 178.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.35 156.6 17.64 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -98.56 -7.41 28.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.322 0.649 . . . . 0.0 109.989 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 18.9 m -128.93 145.24 51.28 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.89 0.876 . . . . 0.0 110.973 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -66.04 -33.96 7.9 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.573 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 74.5 Cg_exo -55.78 -45.95 35.24 Favored 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 121.964 1.776 . . . . 0.0 112.237 169.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.441 ' HA2' ' HD3' ' A' ' 74' ' ' ARG . . . -60.05 -38.99 95.12 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 124.186 0.929 . . . . 0.0 112.832 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 57' ' ' PHE . 41.9 tp -54.35 -55.63 26.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.482 1.113 . . . . 0.0 110.377 171.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -61.25 -36.23 79.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.46 1.104 . . . . 0.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 64.7 mtp85 -59.64 -37.37 78.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.877 0.871 . . . . 0.0 111.646 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -73.5 -46.3 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.217 0.323 . . . . 0.0 110.249 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.47 -23.35 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 123.633 0.583 . . . . 0.0 111.343 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -84.59 -58.57 2.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.496 0.718 . . . . 0.0 110.967 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -91.33 -63.2 1.29 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.611 0.596 . . . . 0.0 112.611 -167.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.1 m -96.7 -0.67 47.97 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -166.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 124.688 1.195 . . . . 0.0 110.174 178.356 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.652 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 57.8 m . . . . . 0 C--O 1.246 0.905 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.08 111.69 7.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.76 137.23 33.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.902 0.481 . . . . 0.0 110.144 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.3 t -75.48 99.93 0.35 Allowed Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 164.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.1 Cg_endo -48.19 -29.1 12.04 Favored 'Trans proline' 0 C--N 1.381 2.263 0 C-N-CA 123.978 3.118 . . . . 0.0 115.661 -165.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.98 -18.58 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.552 0 C-N-CA 123.552 0.741 . . . . 0.0 112.116 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.8 p -141.14 132.22 26.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.98 109.85 2.82 Favored Glycine 0 C--N 1.356 1.646 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -175.75 101.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -159.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 60.0 p -93.24 130.57 38.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 0.0 111.544 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.13 145.01 47.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.849 1.259 . . . . 0.0 110.009 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 -33.61 70.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.813 0.445 . . . . 0.0 111.4 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -116.24 152.72 33.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.079 0.552 . . . . 0.0 111.176 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -71.92 -21.99 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.769 0.828 . . . . 0.0 111.487 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.71 -39.71 47.7 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.67 0.606 . . . . 0.0 112.379 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.61 67.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.598 0.359 . . . . 0.0 110.445 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.64 -59.66 3.71 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.716 0.807 . . . . 0.0 111.678 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -71.84 -19.45 61.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.977 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -29.43 62.09 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.189 0.305 . . . . 0.0 111.146 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t-80 -68.9 -40.81 78.94 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 56' ' ' VAL . 95.7 mt -64.66 -33.85 76.92 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.555 175.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -75.52 -40.47 56.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.574 0.75 . . . . 0.0 111.152 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.7 mt -105.64 -68.58 0.86 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.543 0.737 . . . . 0.0 111.459 -168.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.44 -4.67 57.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.404 0.682 . . . . 0.0 112.419 -169.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -139.57 37.69 2.03 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.438 1.095 . . . . 0.0 109.269 178.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -23.51 65.97 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.186 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.14 -5.39 31.34 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.762 0.825 . . . . 0.0 112.994 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -117.41 8.12 12.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.786 0.834 . . . . 0.0 111.872 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.2 m -129.01 158.52 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.743 0.782 . . . . 0.0 111.66 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.587 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.9 m-85 -131.41 88.77 42.8 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 125.22 1.408 . . . . 0.0 108.734 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.37 139.91 23.88 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.989 2.46 . . . . 0.0 112.632 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 34.8 t -68.41 104.59 1.93 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.233 0.613 . . . . 0.0 109.389 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -38.58 -48.45 1.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.784 2.034 . . . . 0.0 116.445 -161.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -73.65 -39.93 64.11 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -171.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 30.9 p -107.7 152.19 41.41 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 122.994 0.518 . . . . 0.0 111.115 -172.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.3 80.01 1.07 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.271 1.98 . . . . 0.0 110.698 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 93.19 2.54 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.45 1.1 . . . . 0.0 108.2 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -92.65 115.79 28.42 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.219 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.43 136.71 40.82 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.766 0.826 . . . . 0.0 109.081 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HA ' HG12 ' A' ' 56' ' ' VAL . 57.8 t80 -77.69 -10.8 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.589 0.356 . . . . 0.0 110.892 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.3 m -125.75 144.86 50.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.375 0.67 . . . . 0.0 110.712 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 11.3 t -67.21 -39.37 20.62 Favored Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 124.371 1.068 . . . . 0.0 112.208 177.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 Cg_endo -61.27 -26.8 82.46 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.642 1.561 . . . . 0.0 112.693 169.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.28 -38.46 62.84 Favored Glycine 0 C--N 1.355 1.584 0 O-C-N 123.78 0.675 . . . . 0.0 112.411 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 57' ' ' PHE . 25.2 tp -54.23 -49.32 69.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.14 0.976 . . . . 0.0 110.305 170.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 m -61.22 -26.93 68.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.855 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 70' ' ' PRO . 3.7 mmp_? -65.16 -50.67 65.08 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.733 0.413 . . . . 0.0 112.089 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.5 t-80 -76.71 -19.5 57.62 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.802 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mt -75.31 -66.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -54.18 -34.18 59.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.874 0.87 . . . . 0.0 112.807 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -90.52 -60.07 2.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 122.847 0.459 . . . . 0.0 111.649 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -114.57 -7.97 12.76 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -160.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 123.537 0.735 . . . . 0.0 111.091 176.661 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.864 0.364 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.99 119.0 24.4 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.08 150.88 22.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.513 0.325 . . . . 0.0 110.732 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HA ' ' HG3' ' A' ' 44' ' ' GLN . 10.9 t -64.17 109.73 3.07 Favored Pre-proline 0 N--CA 1.481 1.088 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 165.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HD2' HD21 ' A' ' 48' ' ' LEU . 63.6 Cg_exo -44.13 -22.08 0.47 Allowed 'Trans proline' 0 N--CA 1.512 2.602 0 C-N-CA 125.097 3.865 . . . . 0.0 117.488 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.526 ' HB ' ' CD2' ' A' ' 52' ' ' HIS . 11.5 t -93.06 -32.33 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.843 0.457 . . . . 0.0 111.31 -177.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.8 p -131.25 131.44 43.91 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.054 0.541 . . . . 0.0 110.978 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.34 110.11 2.72 Favored Glycine 0 C--N 1.358 1.756 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 172.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -165.83 101.5 0.67 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -163.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 p -75.26 116.71 16.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.87 0.868 . . . . 0.0 112.434 -166.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -123.41 133.76 54.05 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.158 0.983 . . . . 0.0 109.973 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.58 -40.85 80.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.758 0.823 . . . . 0.0 111.186 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -120.78 163.23 18.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.397 0.679 . . . . 0.0 110.984 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -71.78 -38.29 70.33 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.608 -170.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.52 -28.92 72.07 Favored Glycine 0 N--CA 1.475 1.298 0 O-C-N 123.293 0.37 . . . . 0.0 113.511 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.588 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . . . -74.99 -33.14 61.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.437 0.695 . . . . 0.0 111.086 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 31' ' ' CYS . 13.8 tt0 -63.87 -51.52 64.22 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.288 0.635 . . . . 0.0 110.508 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.3 -35.68 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.28 -173.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 43' ' ' ALA . 9.6 ptp180 -69.64 -39.7 76.95 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.59 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -66.54 -26.93 67.38 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 118.72 0.691 . . . . 0.0 110.451 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD21 ' HD2' ' A' ' 32' ' ' PRO . 95.9 mt -72.0 -67.28 0.55 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.791 0.682 . . . . 0.0 110.416 175.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -68.29 -19.67 64.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.02 -63.21 1.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.764 0.425 . . . . 0.0 110.887 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.6 mt -105.56 -52.36 2.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.387 0.675 . . . . 0.0 112.183 -169.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.526 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 2.0 m-70 -91.13 38.48 0.96 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.406 1.083 . . . . 0.0 111.484 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -80.19 -4.17 51.97 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.202 1.401 . . . . 0.0 111.742 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.76 81.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.17 0.988 . . . . 0.0 111.335 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -104.14 -3.11 24.87 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.178 0.591 . . . . 0.0 112.324 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 53' ' ' ALA . 34.2 m -126.93 142.24 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 72' ' ' LEU . 69.0 m-85 -133.1 87.16 40.22 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.649 1.18 . . . . 0.0 109.361 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 91.5 Cg_endo -78.4 128.58 8.91 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 122.646 2.231 . . . . 0.0 113.13 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 2.1 t -64.34 102.52 0.54 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 171.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.85 -30.39 63.78 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.505 1.522 . . . . 0.0 114.987 -155.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -80.1 -7.21 58.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.156 0.582 . . . . 0.0 111.574 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 28.7 p -135.89 154.33 77.71 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.305 1.042 . . . . 0.0 110.778 171.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 77.06 2.53 Favored 'Trans proline' 0 CA--C 1.56 1.809 0 C-N-CA 122.072 1.848 . . . . 0.0 111.117 163.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -141.43 102.66 4.25 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.335 1.054 . . . . 0.0 108.325 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 31.8 m -96.89 132.0 43.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.888 0.875 . . . . 0.0 110.972 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.15 130.44 52.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.878 0.871 . . . . 0.0 110.073 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -83.4 20.03 1.42 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.541 0.736 . . . . 0.0 111.183 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 70' ' ' PRO . 52.2 p -151.61 143.6 23.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.118 0.967 . . . . 0.0 109.017 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 p -66.74 -31.88 4.53 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 117.817 -1.087 . . . . 0.0 113.213 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 68' ' ' SER . 88.9 Cg_exo -52.44 -49.16 18.4 Favored 'Trans proline' 0 C--N 1.407 3.616 0 C-N-CA 122.163 1.908 . . . . 0.0 112.775 167.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.35 97.9 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 123.394 0.434 . . . . 0.0 112.737 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -54.29 -57.93 9.33 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.588 1.155 . . . . 0.0 110.95 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -73.1 -25.81 61.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.474 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.68 -38.0 80.01 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.846 0.293 . . . . 0.0 111.186 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.4 t-80 -75.48 -17.86 60.01 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.662 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.0 mt -80.7 -65.97 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.92 -36.35 48.72 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.452 1.101 . . . . 0.0 113.199 -176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -92.67 -59.75 1.99 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.057 0.543 . . . . 0.0 111.561 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.6 m -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -162.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 . . . . . 0 N--CA 1.495 1.816 0 C-N-CA 123.54 0.736 . . . . 0.0 112.291 -178.487 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.6 m80 -139.25 117.0 11.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.567 1.147 . . . . 0.0 108.273 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.7 mt -106.85 139.43 41.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.251 0.62 . . . . 0.0 110.207 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 40.7 t -63.27 105.48 0.67 Allowed Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' A' ' 48' ' ' LEU . 92.5 Cg_exo -48.04 -29.86 12.99 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.229 3.286 . . . . 0.0 116.067 -169.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' A' ' 55' ' ' GLN . 10.3 t -86.24 -17.15 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 C-N-CA 122.926 0.491 . . . . 0.0 112.311 -172.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.6 p -145.52 135.77 23.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.814 -0.554 . . . . 0.0 111.083 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.97 110.92 3.77 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 173.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -162.65 108.61 1.2 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -171.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -74.73 114.02 12.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.976 0.51 . . . . 0.0 111.108 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 29' ' ' HIS . 69.5 m-85 -115.08 142.37 46.74 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.23 28.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.631 0.772 . . . . 0.0 109.8 172.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -97.91 150.65 21.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 0.0 111.535 -176.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.73 -34.04 66.81 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.185 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.11 97.53 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.3 71.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 111.134 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.69 -50.61 71.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.879 0.872 . . . . 0.0 111.161 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.44 -35.61 73.47 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.973 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -69.29 -24.77 64.0 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.309 0.38 . . . . 0.0 111.608 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.1 t-80 -69.95 -41.15 74.93 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HB3' HG11 ' A' ' 56' ' ' VAL . 91.3 mt -69.81 -31.1 68.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.046 0.939 . . . . 0.0 111.559 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -82.51 -37.79 24.74 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 110.605 -174.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -100.97 -72.15 0.69 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.116 0.567 . . . . 0.0 110.367 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.44 -12.42 46.19 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -163.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.09 32.06 3.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.364 1.066 . . . . 0.0 109.846 -176.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -75.02 -26.4 59.48 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.233 1.013 . . . . 0.0 112.559 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.15 72.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 0.0 111.0 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' A' ' 33' ' ' VAL . 14.4 mm100 -82.15 -26.98 32.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.72 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 48' ' ' LEU . 20.2 m -93.61 153.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.492 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.07 84.14 49.46 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.424 1.09 . . . . 0.0 110.026 -175.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 61.4 Cg_endo -75.81 123.07 7.18 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.51 2.14 . . . . 0.0 111.598 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 12.8 t -58.78 102.99 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.005 . . . . 0.0 110.225 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -17.05 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 127.808 2.443 . . . . 0.0 116.311 -164.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -83.03 -17.54 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.94 -161.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -130.65 144.68 54.39 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 123.262 0.625 . . . . 0.0 110.05 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.85 82.6 1.22 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.429 2.086 . . . . 0.0 111.714 173.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.98 99.2 3.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.489 1.116 . . . . 0.0 108.22 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 64.1 m -92.77 137.12 32.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.462 0.705 . . . . 0.0 111.126 -173.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.39 144.0 50.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.394 1.477 . . . . 0.0 108.814 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -96.15 10.03 39.0 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.885 0.474 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.3 m -131.18 140.65 49.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.587 0.755 . . . . 0.0 109.91 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -65.46 -41.64 51.72 Favored Pre-proline 0 CA--C 1.567 1.607 0 C-N-CA 124.237 1.015 . . . . 0.0 112.719 -177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 28.0 Cg_exo -64.53 -42.51 16.24 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 121.855 1.704 . . . . 0.0 111.389 171.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.21 -34.24 53.13 Favored Glycine 0 C--N 1.363 2.055 0 O-C-N 124.39 1.056 . . . . 0.0 113.43 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.39 -53.0 50.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.772 1.229 . . . . 0.0 111.521 173.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.7 m -79.28 -24.13 43.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.302 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.6 mtt-85 -57.61 -30.1 65.05 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.949 0.499 . . . . 0.0 111.407 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.1 t-80 -67.68 -44.47 77.71 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 45.5 mt -67.15 -24.16 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.232 1.013 . . . . 0.0 110.941 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -84.45 -43.03 15.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.331 0.653 . . . . 0.0 110.619 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 87.7 tttt -93.07 -63.55 1.2 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -167.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.502 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 77.0 m -119.81 24.31 10.63 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.823 0.849 . . . . 0.0 111.702 -169.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.714 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 1.4 t-80 . . . . . 0 CA--C 1.563 1.476 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 49.6 t . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.386 0.612 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -136.63 118.35 15.04 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.706 1.202 . . . . 0.0 108.511 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' SER . 50.0 mt -117.66 127.49 54.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.772 0.829 . . . . 0.0 109.47 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.83 108.66 1.97 Allowed Pre-proline 0 N--CA 1.484 1.227 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.7 Cg_endo -61.61 -1.04 1.76 Allowed 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 123.594 2.863 . . . . 0.0 116.071 -165.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.483 ' HB ' ' CD2' ' A' ' 52' ' ' HIS . 2.8 t -108.92 -16.13 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 C-N-CA 123.479 0.712 . . . . 0.0 111.537 -177.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.5 p -154.77 163.67 39.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.007 0.523 . . . . 0.0 111.368 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.03 107.97 2.35 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.0 81.43 1.43 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.935 1.294 . . . . 0.0 108.371 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.422 ' HA ' HD23 ' A' ' 30' ' ' LEU . 13.3 p -80.44 116.54 20.55 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.172 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.49 143.12 43.63 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.797 0.839 . . . . 0.0 109.804 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . . . -74.97 -31.87 61.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.345 0.658 . . . . 0.0 110.092 171.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 m -90.13 145.14 25.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.899 0.879 . . . . 0.0 111.893 -177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -72.1 -48.59 42.76 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.547 0.739 . . . . 0.0 110.859 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.77 92.0 Favored Glycine 0 C--N 1.347 1.188 0 O-C-N 123.656 0.598 . . . . 0.0 112.997 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -17.67 63.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.808 0.843 . . . . 0.0 111.84 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.89 -55.1 4.25 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.627 0.771 . . . . 0.0 109.061 172.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.64 -28.17 68.35 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.267 1.027 . . . . 0.0 112.608 -171.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 5.2 ptp180 -60.3 -39.5 87.17 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.95 -32.78 74.66 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 117.803 0.274 . . . . 0.0 110.268 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.9 mt -71.97 -42.97 65.89 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 123.971 0.795 . . . . 0.0 112.023 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -79.34 -25.65 42.26 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 118.374 0.534 . . . . 0.0 111.78 -176.288 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.73 -75.46 0.48 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.705 0.402 . . . . 0.0 111.235 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -96.62 -24.77 15.85 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -166.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.483 ' CD2' ' HB ' ' A' ' 33' ' ' VAL . 1.8 m-70 -114.98 38.88 3.03 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.762 0.825 . . . . 0.0 110.457 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -82.47 -2.99 55.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.385 -1.28 . . . . 0.0 113.124 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.61 -27.34 51.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.101 0.561 . . . . 0.0 111.001 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.0 -32.88 15.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.721 0.808 . . . . 0.0 111.679 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 35.8 m -92.61 158.61 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 171.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' A' ' 72' ' ' LEU . 92.6 m-85 -131.99 89.92 36.98 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.118 0.967 . . . . 0.0 109.266 -173.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.13 121.52 8.34 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.992 2.462 . . . . 0.0 112.886 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.14 120.51 9.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.69 0.796 . . . . 0.0 109.165 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.48 -17.6 62.9 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -160.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -102.69 -24.67 13.73 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -132.93 135.04 25.24 Favored Pre-proline 0 N--CA 1.495 1.795 0 CA-C-O 118.526 -0.749 . . . . 0.0 111.1 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -60.85 93.76 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.003 2.469 . . . . 0.0 111.5 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.05 105.15 1.74 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.521 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.441 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 17.1 p -93.07 125.18 37.54 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 122.828 0.451 . . . . 0.0 111.319 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -110.39 125.42 53.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.51 1.124 . . . . 0.0 108.612 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.43 -1.26 20.34 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.625 0.37 . . . . 0.0 111.499 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.5 m -130.8 136.1 48.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.972 0.909 . . . . 0.0 109.719 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -67.59 -30.87 3.15 Favored Pre-proline 0 CA--C 1.565 1.545 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 51.4 Cg_exo -57.12 -37.88 97.03 Favored 'Trans proline' 0 C--N 1.402 3.367 0 CA-C-N 122.24 1.836 . . . . 0.0 112.088 170.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.34 -37.03 70.45 Favored Glycine 0 C--N 1.357 1.699 0 O-C-N 123.8 0.687 . . . . 0.0 113.071 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' PHE . 23.1 tp -52.04 -56.81 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.183 0.993 . . . . 0.0 110.635 171.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -68.42 -35.23 77.34 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.029 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 1.4 ttm180 -62.58 -30.18 71.14 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.919 0.888 . . . . 0.0 111.71 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.84 -52.48 50.1 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 174.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.55 -22.85 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.255 1.022 . . . . 0.0 111.429 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.53 -56.82 3.42 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.577 0.751 . . . . 0.0 111.506 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -94.02 -61.85 1.46 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.469 0.708 . . . . 0.0 111.478 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.8 t -95.46 11.29 33.43 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.928 0.891 . . . . 0.0 112.445 -164.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.556 1.192 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -147.0 129.6 16.0 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.8 mt -89.16 146.68 24.63 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.175 0.59 . . . . 0.0 109.882 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 12.6 t -66.42 96.18 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.981 172.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.0 Cg_exo -23.95 -56.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.384 2.404 1 C-N-CA 125.985 4.456 . . . . 0.0 117.176 -157.17 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 55' ' ' GLN . 35.8 t -79.15 -25.52 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 122.953 0.501 . . . . 0.0 112.194 -169.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.5 p -120.17 123.28 42.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.765 -0.584 . . . . 0.0 109.471 169.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 109.95 2.47 Favored Glycine 0 C--N 1.351 1.399 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -162.2 102.71 1.11 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 120.1 14.58 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.232 0.957 . . . . 0.0 112.364 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.57 131.51 49.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.048 0.939 . . . . 0.0 109.62 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -20.21 62.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.932 0.893 . . . . 0.0 112.174 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -141.44 153.56 45.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.44 0.696 . . . . 0.0 110.162 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.45 -19.75 64.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 123.597 0.759 . . . . 0.0 110.885 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.23 87.19 Favored Glycine 0 C--N 1.349 1.3 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.75 60.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.638 0.775 . . . . 0.0 111.494 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.46 -57.86 9.68 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.693 0.797 . . . . 0.0 110.228 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -61.74 -26.23 67.93 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.468 1.107 . . . . 0.0 111.308 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.86 -44.51 89.49 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.968 0.792 . . . . 0.0 111.259 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.4 t-80 -71.34 -36.08 71.41 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.436 0.562 . . . . 0.0 109.901 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' HB3' HG11 ' A' ' 56' ' ' VAL . 93.5 mt -65.81 -32.35 73.84 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.061 0.851 . . . . 0.0 112.288 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -84.41 -32.02 24.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 122.021 -0.424 . . . . 0.0 111.583 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.39 -78.2 0.34 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.532 0.333 . . . . 0.0 111.281 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -102.3 17.54 23.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.173 0.589 . . . . 0.0 111.695 -169.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.97 27.0 0.98 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.807 0.443 . . . . 0.0 111.296 178.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.88 60.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.989 0.916 . . . . 0.0 112.012 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -14.39 62.45 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.553 0.741 . . . . 0.0 111.76 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' HG21 ' A' ' 33' ' ' VAL . 27.0 mm-40 -107.44 -12.71 15.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.807 0.843 . . . . 0.0 112.862 -174.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' A' ' 48' ' ' LEU . 31.7 m -110.0 144.78 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 120.95 0.405 . . . . 0.0 110.524 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.2 m-85 -133.37 83.47 49.7 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 125.005 1.322 . . . . 0.0 109.37 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.2 Cg_endo -75.53 118.04 5.0 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.578 2.185 . . . . 0.0 112.117 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 47.2 t -70.55 103.45 2.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 171.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -50.77 -48.31 59.41 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.919 1.687 . . . . 0.0 115.474 -153.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 19.3 m-85 -82.39 -5.51 58.69 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.804 0.442 . . . . 0.0 111.699 -166.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.98 157.28 78.52 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.18 42.17 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.578 2.185 . . . . 0.0 113.118 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.22 92.08 3.91 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.24 1.016 . . . . 0.0 109.366 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 48.9 m -93.2 113.42 25.64 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -90.73 168.39 11.79 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 109.343 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -116.03 -4.67 11.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.203 0.601 . . . . 0.0 109.706 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -129.57 136.39 49.74 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.849 0.86 . . . . 0.0 109.609 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 p -65.76 -30.47 3.91 Favored Pre-proline 0 CA--C 1.571 1.764 0 CA-C-O 117.373 -1.298 . . . . 0.0 113.958 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.33 -47.2 27.1 Favored 'Trans proline' 0 C--N 1.407 3.642 0 C-N-CA 122.141 1.894 . . . . 0.0 112.946 167.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.01 93.99 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.009 0.193 . . . . 0.0 112.762 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 57' ' ' PHE . 66.6 tp -57.55 -58.96 6.02 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.867 0.867 . . . . 0.0 110.795 176.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -66.91 -33.34 75.37 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.728 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -70.86 -24.35 62.5 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.465 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.9 t-80 -71.93 -56.85 4.96 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.452 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.9 mt -50.78 -36.97 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 124.846 1.259 . . . . 0.0 112.158 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -83.97 -57.74 3.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.233 0.613 . . . . 0.0 111.482 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -89.6 -59.8 2.11 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.965 0.506 . . . . 0.0 112.347 -166.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -96.43 10.23 38.86 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.921 0.488 . . . . 0.0 112.128 -173.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 124.123 0.969 . . . . 0.0 108.626 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.19 32.68 9.45 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.505 0.503 . . . . 0.0 112.992 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -75.45 107.51 7.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -145.65 146.46 31.32 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.783 0.433 . . . . 0.0 111.193 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -105.46 147.66 28.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.618 0.767 . . . . 0.0 109.984 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -100.45 42.33 1.12 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.857 0.863 . . . . 0.0 109.838 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -66.65 89.71 0.16 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.516 -173.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -110.68 24.11 13.36 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.34 1.056 . . . . 0.0 108.275 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 m -69.23 102.0 1.6 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.514 1.126 . . . . 0.0 110.698 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -138.57 61.61 1.57 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 122.056 0.932 . . . . 0.0 108.518 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.1 mtm -81.51 122.7 27.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.562 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.91 -114.47 0.62 Allowed Glycine 0 N--CA 1.461 0.352 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 57.56 82.18 0.13 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.317 1.047 . . . . 0.0 111.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.5 104.78 0.18 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.996 -0.336 . . . . 0.0 112.544 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -136.14 123.13 21.44 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.91 174.17 36.58 Favored Glycine 0 C--N 1.339 0.748 0 O-C-N 123.279 0.362 . . . . 0.0 112.585 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.21 139.18 13.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.752 0.821 . . . . 0.0 109.465 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.33 -156.29 26.91 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.145 0.278 . . . . 0.0 112.45 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.31 -175.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.794 0.838 . . . . 0.0 110.982 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 20' ' ' LEU . 2.1 pt? -133.02 126.86 32.83 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.3 0.64 . . . . 0.0 110.006 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.68 -5.84 81.02 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.943 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 tp -151.27 154.46 36.83 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 m -51.83 -46.45 64.35 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.435 0.694 . . . . 0.0 112.282 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.73 -177.07 0.11 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.48 1.112 . . . . 0.0 112.189 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t 63.87 -179.1 0.16 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.459 1.103 . . . . 0.0 111.375 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.94 166.37 31.96 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.892 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.45 77.55 0.77 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.146 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -111.1 -49.47 3.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.182 0.993 . . . . 0.0 108.45 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -128.99 124.94 36.31 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.728 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -124.85 126.69 45.98 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 t -61.83 102.69 0.33 Allowed Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 48' ' ' LEU . 85.1 Cg_exo -49.57 -17.45 1.86 Allowed 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 124.463 3.442 . . . . 0.0 117.125 -165.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.29 -26.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 C-N-CA 122.716 0.406 . . . . 0.0 111.603 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.18 117.91 17.06 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.132 0.573 . . . . 0.0 110.016 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.01 110.52 3.54 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -158.72 119.38 3.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -172.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 m -71.21 115.81 10.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.241 0.616 . . . . 0.0 111.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -114.77 128.81 56.51 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.651 0.78 . . . . 0.0 108.921 172.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.75 -46.52 21.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.9 m -78.29 140.01 38.85 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.444 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -78.2 -35.31 48.74 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.275 0.63 . . . . 0.0 110.633 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.27 -23.95 68.59 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.78 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.35 -32.28 68.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.585 0.754 . . . . 0.0 111.117 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -67.64 -49.25 63.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.838 0.855 . . . . 0.0 110.578 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.87 -40.91 95.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -68.56 -34.81 76.48 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.22 0.325 . . . . 0.0 110.49 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.48 -22.59 63.6 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.567 0.222 . . . . 0.0 110.647 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 32' ' ' PRO . 91.2 mt -79.84 -66.62 0.85 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.988 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -62.55 -21.04 65.27 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -167.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -89.49 -65.42 1.02 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.288 0.635 . . . . 0.0 110.924 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -96.26 -60.06 1.7 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.038 0.535 . . . . 0.0 111.411 -170.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -92.65 47.35 1.29 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.057 0.943 . . . . 0.0 111.738 -171.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.13 -5.09 53.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.451 -175.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.68 -34.51 75.8 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.678 0.391 . . . . 0.0 111.455 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -87.13 -30.96 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.569 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.51 140.42 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.069 0.547 . . . . 0.0 110.468 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -113.84 95.76 38.72 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 123.939 0.896 . . . . 0.0 110.725 -173.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 87.5 Cg_endo -79.88 121.07 4.42 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.991 2.461 . . . . 0.0 112.807 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -67.93 101.61 1.13 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -55.08 -27.02 41.8 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -155.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -76.62 -20.35 56.83 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.828 0.451 . . . . 0.0 111.572 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 30.7 p -133.5 154.72 80.95 Favored Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.202 1.001 . . . . 0.0 109.695 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.12 4.55 4.19 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.315 2.01 . . . . 0.0 113.738 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.54 95.89 0.11 Allowed 'General case' 0 C--O 1.25 1.084 0 C-N-CA 123.381 0.672 . . . . 0.0 110.228 173.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 29.4 m -93.23 123.49 36.54 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.174 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.04 157.69 17.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.441 0.696 . . . . 0.0 110.507 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 32' ' ' PRO . 45.8 m-85 -109.58 22.18 16.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.029 0.932 . . . . 0.0 109.525 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -155.18 150.55 27.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.679 0.792 . . . . 0.0 109.607 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -70.57 -48.4 16.94 Favored Pre-proline 0 CA--C 1.562 1.41 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.475 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 26.3 Cg_endo -59.27 -40.77 65.56 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 122.122 1.882 . . . . 0.0 112.383 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.8 59.45 Favored Glycine 0 C--N 1.356 1.639 0 O-C-N 123.362 0.414 . . . . 0.0 113.616 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.9 -59.41 4.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.537 1.135 . . . . 0.0 111.606 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -72.75 -27.58 62.11 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.121 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 64.5 mtp180 -64.53 -23.81 67.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.315 0.384 . . . . 0.0 112.029 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.07 -50.47 27.97 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -29.48 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.75 -50.64 9.02 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.161 0.584 . . . . 0.0 110.774 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -92.96 -62.7 1.33 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.8 t -102.28 7.93 40.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.574 0.75 . . . . 0.0 112.599 -164.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.11 49.83 0.51 Allowed Pre-proline 0 CA--C 1.558 1.273 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -88.14 10.4 3.43 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.305 2.67 . . . . 0.0 114.036 -164.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -99.83 -14.37 18.82 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.937 0.895 . . . . 0.0 110.567 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.86 92.42 4.81 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 123.785 0.834 . . . . 0.0 111.498 -167.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -127.87 31.12 5.17 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.233 1.013 . . . . 0.0 109.971 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.087 -178.079 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtm . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.23 28.23 0.17 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 113.823 0.289 . . . . 0.0 113.823 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -84.88 114.0 21.8 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 173.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -79.7 -178.09 6.2 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.989 0.516 . . . . 0.0 110.174 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -146.32 128.97 16.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.711 0.404 . . . . 0.0 110.587 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -85.46 106.11 16.56 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -67.51 96.42 0.52 Allowed 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.9 0.48 . . . . 0.0 110.152 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -75.82 105.49 6.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 t -75.82 176.13 8.08 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -140.63 142.79 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.98 0.912 . . . . 0.0 108.565 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.38 113.22 5.08 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.56 41.71 2.86 Favored Glycine 0 C--N 1.35 1.343 0 C-N-CA 123.115 0.388 . . . . 0.0 113.571 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.48 134.33 35.21 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.282 1.033 . . . . 0.0 108.962 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.19 -135.03 2.62 Favored Glycine 0 C--N 1.336 0.559 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -163.58 -179.18 6.27 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.543 0.737 . . . . 0.0 109.47 -175.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.85 89.79 0.07 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.06 109.65 10.64 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 109.955 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.17 73.25 2.29 Favored Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.7 148.47 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.539 0.736 . . . . 0.0 112.197 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.47 104.91 15.04 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.403 -175.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.49 31.25 0.3 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.01 -26.05 63.88 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.239 0.616 . . . . 0.0 111.969 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -115.96 100.64 8.12 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.937 0.895 . . . . 0.0 109.401 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.54 138.64 17.34 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.607 0.763 . . . . 0.0 109.824 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 t -140.71 28.38 1.97 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.129 0.972 . . . . 0.0 108.867 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.18 178.27 0.21 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.175 1.39 . . . . 0.0 111.51 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -157.83 -71.89 0.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.7 m -147.9 -70.24 0.23 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.413 1.085 . . . . 0.0 108.147 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -144.41 125.52 14.55 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.63 1.172 . . . . 0.0 108.089 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.5 141.98 45.61 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.17 0.588 . . . . 0.0 110.386 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 35.8 t -83.01 95.56 0.29 Allowed Pre-proline 0 N--CA 1.478 0.936 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 168.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -53.36 -16.65 7.59 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 123.811 3.007 . . . . 0.0 116.322 -164.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -82.83 -31.41 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.245 0.618 . . . . 0.0 111.303 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 p -138.14 147.31 43.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.46 0.704 . . . . 0.0 110.803 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 109.5 2.92 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.7 108.19 0.48 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -166.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -108.57 134.88 50.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.622 0.769 . . . . 0.0 110.939 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -139.91 142.01 36.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.497 1.119 . . . . 0.0 109.002 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.52 -37.66 36.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.909 0.484 . . . . 0.0 109.715 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 p -77.89 123.55 26.9 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.012 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 21.3 ttpp -68.1 -30.3 69.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.097 0.559 . . . . 0.0 111.234 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.35 -34.74 89.35 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.226 0.329 . . . . 0.0 112.595 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.155 0.582 . . . . 0.0 110.524 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -65.77 -44.64 85.22 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.117 0.567 . . . . 0.0 110.166 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 59.9 mm-40 -56.81 -52.6 64.44 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 124.113 0.883 . . . . 0.0 110.565 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.24 -27.81 68.92 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.728 0.643 . . . . 0.0 112.552 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -70.57 -28.05 64.59 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 176.036 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.0 mt -86.28 -67.66 0.79 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.069 0.547 . . . . 0.0 111.798 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 16.0 ptm180 -57.76 -30.5 65.67 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 68.4 mt -95.5 -62.69 1.26 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.7 0.4 . . . . 0.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.7 mt -85.96 -49.0 8.18 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -168.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -116.65 54.68 0.84 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.049 0.928 . . . . 0.0 110.775 -169.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -87.79 7.33 30.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.189 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.58 62.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.095 0.958 . . . . 0.0 112.403 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HB2' HG22 ' A' ' 33' ' ' VAL . 17.7 mm-40 -106.05 -26.17 11.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.753 0.421 . . . . 0.0 111.848 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 53' ' ' ALA . 33.2 m -85.69 141.38 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.53 86.67 12.85 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.16 0.984 . . . . 0.0 110.344 -177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 84.1 Cg_endo -79.53 130.23 8.79 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.764 2.309 . . . . 0.0 112.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.98 103.76 0.25 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.98 -17.58 64.54 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -157.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -92.79 -22.54 19.28 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.112 0.565 . . . . 0.0 112.02 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -135.39 148.24 65.25 Favored Pre-proline 0 N--CA 1.485 1.288 0 CA-C-O 118.906 -0.569 . . . . 0.0 110.202 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.95 92.12 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 121.95 1.767 . . . . 0.0 112.219 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.88 95.53 1.53 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.641 1.177 . . . . 0.0 109.178 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 25.2 m -92.26 122.11 34.42 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.484 0.714 . . . . 0.0 110.79 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.99 168.92 8.87 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.065 0.946 . . . . 0.0 109.708 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.427 ' HD1' HG12 ' A' ' 56' ' ' VAL . 24.6 t80 -121.51 16.54 11.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.633 0.73 . . . . 0.0 109.751 175.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -133.6 138.89 46.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.306 0.642 . . . . 0.0 110.113 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 m -63.66 -44.68 81.29 Favored Pre-proline 0 CA--C 1.569 1.71 0 C-N-CA 123.968 0.907 . . . . 0.0 111.567 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 36.5 Cg_endo -64.94 -36.04 40.82 Favored 'Trans proline' 0 C--N 1.402 3.384 0 C-N-CA 121.785 1.657 . . . . 0.0 111.523 169.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.31 91.89 Favored Glycine 0 C--N 1.364 2.114 0 O-C-N 123.587 0.555 . . . . 0.0 113.027 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.5 -48.82 74.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.888 1.275 . . . . 0.0 110.414 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 m -74.91 -26.11 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.187 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.2 mtt-85 -61.28 -32.5 72.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.18 0.592 . . . . 0.0 111.593 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -52.79 41.13 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.28 -32.92 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.804 1.242 . . . . 0.0 112.126 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -81.78 -58.49 2.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.277 0.631 . . . . 0.0 110.002 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -90.65 -61.2 1.73 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.461 0.704 . . . . 0.0 112.656 -167.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -101.94 10.11 39.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.516 0.727 . . . . 0.0 112.099 -167.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 2.5 t-160 -155.39 47.64 0.33 Allowed Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 124.11 0.964 . . . . 0.0 109.497 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.23 -17.52 16.88 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.775 1.65 . . . . 0.0 112.7 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -96.65 20.21 11.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.73 0.812 . . . . 0.0 112.527 -170.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 7.6 pt-20 -84.42 60.02 5.77 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 121.749 0.785 . . . . 0.0 110.335 174.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -89.73 157.65 17.88 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.358 1.063 . . . . 0.0 109.1 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 . . . . . 0 C--O 1.249 1.076 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -173.523 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.93 -170.82 27.79 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-O 119.579 -0.567 . . . . 0.0 112.435 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.275 38.1 p-80 57.03 -63.09 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 127.648 2.379 . . . . 0.0 114.319 -175.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 67.13 -156.47 0.23 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.814 1.246 . . . . 0.0 109.256 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -137.62 89.89 2.45 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.664 0.665 . . . . 0.0 111.183 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -167.6 139.52 3.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.774 0.83 . . . . 0.0 110.318 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -136.71 161.24 36.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.468 1.107 . . . . 0.0 109.245 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -160.11 139.16 10.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.153 0.981 . . . . 0.0 108.697 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -155.87 107.55 2.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.944 0.497 . . . . 0.0 109.868 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -141.82 129.42 21.48 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.9 ttt -148.01 89.57 1.75 Allowed 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.117 0.484 . . . . 0.0 110.613 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.73 93.74 1.44 Allowed Glycine 0 C--N 1.344 1.006 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -150.37 150.34 31.28 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.422 0.689 . . . . 0.0 111.085 -171.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 76.94 0.04 OUTLIER Glycine 0 C--N 1.353 1.493 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -126.78 155.57 42.59 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.281 1.032 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.71 148.6 8.43 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.56 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.17 124.08 28.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.023 0.929 . . . . 0.0 109.181 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.25 61.23 0.03 OUTLIER Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG23 ' HG ' ' A' ' 20' ' ' LEU . 20.5 m -96.56 -28.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.455 0.702 . . . . 0.0 111.565 177.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.516 ' HG ' HG23 ' A' ' 19' ' ' VAL . 96.0 mt -123.87 155.04 38.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.695 0.798 . . . . 0.0 110.679 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.4 18.47 Favored Glycine 0 N--CA 1.474 1.224 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.41 131.35 35.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.181 0.593 . . . . 0.0 110.346 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 p -74.86 -15.58 60.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.466 0.706 . . . . 0.0 111.996 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.28 -71.73 0.13 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.756 1.622 . . . . 0.0 111.661 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 m 64.9 -179.58 0.18 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.918 1.287 . . . . 0.0 111.66 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.0 -69.69 0.31 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.037 0.535 . . . . 0.0 109.719 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.42 168.25 27.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.674 0.79 . . . . 0.0 110.188 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -162.6 163.88 26.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.146 0.979 . . . . 0.0 110.581 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -71.82 128.42 35.69 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.06 0.944 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.15 136.69 47.4 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.86 0.464 . . . . 0.0 110.862 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -67.19 111.41 7.14 Favored Pre-proline 0 N--CA 1.485 1.295 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.448 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' HD21 ' A' ' 48' ' ' LEU . 40.1 Cg_exo -39.01 -38.81 1.19 Allowed 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 125.041 3.827 . . . . 0.0 116.013 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 t -79.95 -23.31 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.605 0.762 . . . . 0.0 111.71 -172.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 23.1 p -145.2 118.2 8.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.978 0.511 . . . . 0.0 110.161 177.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.27 107.37 1.78 Allowed Glycine 0 C--N 1.353 1.487 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -154.34 126.37 7.76 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -77.24 115.68 17.22 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.963 0.789 . . . . 0.0 111.547 -167.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -121.53 125.37 46.62 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.656 0.782 . . . . 0.0 108.97 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.51 -43.31 27.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -77.8 133.49 38.2 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.836 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -62.55 -35.03 78.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.683 0.793 . . . . 0.0 110.906 173.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.72 90.7 Favored Glycine 0 C--N 1.346 1.102 0 O-C-N 123.3 0.375 . . . . 0.0 112.953 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -33.97 70.35 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.533 0.733 . . . . 0.0 110.934 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -69.41 -47.6 63.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.986 0.914 . . . . 0.0 109.874 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -46.01 90.79 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.835 1.654 . . . . 0.0 111.636 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -66.39 -30.36 70.72 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.575 0.547 . . . . 0.0 111.53 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 2.4 t-80 -69.01 -22.21 64.08 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 32' ' ' PRO . 96.8 mt -84.67 -65.32 1.02 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.731 0.644 . . . . 0.0 110.166 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -65.89 -23.73 66.7 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -168.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -97.06 -70.96 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.804 0.442 . . . . 0.0 110.381 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.86 -62.74 1.58 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.119 0.567 . . . . 0.0 111.549 -169.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.513 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 7.7 m170 -86.93 43.46 1.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.531 1.132 . . . . 0.0 111.505 -176.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.73 1.98 24.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.804 1.242 . . . . 0.0 111.63 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -20.93 60.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.862 0.865 . . . . 0.0 111.483 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -102.96 -26.92 12.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.156 0.582 . . . . 0.0 111.832 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 24.5 m -101.21 115.42 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.208 0.528 . . . . 0.0 109.747 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -92.21 102.46 6.43 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 124.542 1.137 . . . . 0.0 110.197 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.05 120.34 4.97 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.604 2.203 . . . . 0.0 111.091 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -57.23 104.51 0.17 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 172.36 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.69 -31.37 6.71 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -154.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -73.7 -19.15 60.9 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 122.938 0.495 . . . . 0.0 111.56 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.577 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.1 p -132.23 159.76 70.85 Favored Pre-proline 0 N--CA 1.482 1.14 0 C-N-CA 124.623 1.169 . . . . 0.0 110.562 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.86 9.1 3.41 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.539 2.159 . . . . 0.0 113.836 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.56 5.72 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.72 0.808 . . . . 0.0 110.46 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 20.5 p -91.57 146.29 23.91 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.611 0.764 . . . . 0.0 111.061 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.22 120.56 19.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.337 1.055 . . . . 0.0 108.796 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -66.6 -14.04 61.87 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.256 0.622 . . . . 0.0 111.252 -172.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.403 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 50.5 m -123.38 142.2 51.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 110.223 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 43.0 p -66.69 -29.01 2.49 Favored Pre-proline 0 CA--C 1.57 1.734 0 CA-C-O 118.299 -0.857 . . . . 0.0 113.165 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 63.1 Cg_exo -47.95 -47.57 18.64 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 122.176 1.917 . . . . 0.0 113.594 160.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.51 93.24 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 116.594 -0.275 . . . . 0.0 112.608 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' CYS . 22.8 tp -50.8 -56.61 11.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.043 1.337 . . . . 0.0 111.331 175.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 t -71.95 -32.16 67.03 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.148 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -70.2 -20.66 63.09 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.0 t-80 -75.08 -35.05 61.84 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.509 1.05 . . . . 0.0 108.882 170.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 35.0 mt -73.04 -20.45 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 C-N-CA 123.735 0.814 . . . . 0.0 110.123 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -85.49 -41.73 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.572 -0.705 . . . . 0.0 110.811 173.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -91.8 -62.66 1.38 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.982 0.513 . . . . 0.0 112.222 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.08 20.68 12.63 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.871 0.869 . . . . 0.0 112.279 -167.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.577 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 1.7 m170 -157.08 50.86 0.46 Allowed Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.582 1.153 . . . . 0.0 109.315 171.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 56.9 Cg_endo -84.65 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.556 2.171 . . . . 0.0 114.268 -168.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -76.75 -62.18 1.72 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 123.179 0.592 . . . . 0.0 110.37 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 56.92 18.3 3.82 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.932 1.293 . . . . 0.0 113.614 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -167.71 84.62 0.21 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.292 0.637 . . . . 0.0 109.802 -175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 . . . . . 0 C--O 1.252 1.22 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 172.91 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.24 159.58 26.41 Favored Glycine 0 C--N 1.346 1.135 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 171.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -146.32 94.57 2.48 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.386 0.593 . . . . 0.0 109.684 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -76.24 146.79 38.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.918 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -132.21 97.67 4.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.673 0.389 . . . . 0.0 110.718 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -121.73 169.53 10.64 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.006 0.922 . . . . 0.0 109.708 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -142.55 165.36 27.6 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -116.44 139.07 50.84 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -136.48 106.63 6.36 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.187 0.595 . . . . 0.0 109.742 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -82.41 70.3 9.34 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-O 121.788 0.804 . . . . 0.0 108.839 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.1 ttt -152.98 132.42 12.91 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.929 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.38 97.39 0.41 Allowed Glycine 0 C--N 1.336 0.535 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.16 -175.31 3.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.885 0.874 . . . . 0.0 109.771 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.72 -131.85 2.15 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -73.49 -34.97 65.58 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 -132.31 11.21 Favored Glycine 0 C--N 1.34 0.773 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.03 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.15 150.67 27.53 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.185 0.594 . . . . 0.0 109.773 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.71 41.72 0.06 OUTLIER Glycine 0 C--N 1.344 0.973 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 33' ' ' VAL . 17.3 m -95.93 178.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 123.715 0.806 . . . . 0.0 111.308 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 pp -164.4 179.08 6.98 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.61 0.764 . . . . 0.0 111.208 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 137.68 5.23 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.09 127.02 31.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.238 0.615 . . . . 0.0 109.414 -175.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t 62.05 -85.12 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.986 1.315 . . . . 0.0 111.428 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.98 52.48 9.19 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.154 0.982 . . . . 0.0 111.114 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -72.52 0.02 11.52 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.979 0.912 . . . . 0.0 112.757 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.65 154.37 31.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.273 1.029 . . . . 0.0 109.216 170.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -105.48 -89.17 0.43 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.811 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m 48.39 -85.98 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.03 1.332 . . . . 0.0 111.828 -166.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -156.61 131.41 8.94 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.222 1.009 . . . . 0.0 108.909 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.15 143.21 31.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.551 0.74 . . . . 0.0 109.596 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 38' ' ' PHE . 12.7 t -62.36 117.36 29.78 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.242 0.617 . . . . 0.0 109.634 170.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 72.8 Cg_exo -46.65 -27.28 5.2 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 124.207 3.271 . . . . 0.0 116.258 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.547 ' HA ' HG11 ' A' ' 19' ' ' VAL . 7.5 t -94.7 -21.59 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.1 p -147.9 114.12 5.88 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.37 109.91 2.78 Favored Glycine 0 C--N 1.358 1.77 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -161.67 116.79 2.01 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -169.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -77.6 115.4 17.33 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.549 0.531 . . . . 0.0 111.596 -170.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 62.4 m-85 -110.1 130.09 55.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 170.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.46 -25.73 26.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.903 0.481 . . . . 0.0 109.816 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -95.81 132.17 41.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.892 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -64.46 -26.64 68.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.104 0.962 . . . . 0.0 111.401 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.58 -50.42 67.95 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.474 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.78 62.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.581 0.753 . . . . 0.0 111.411 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.454 HE22 ' HD3' ' A' ' 32' ' ' PRO . 51.4 tp60 -56.61 -55.54 32.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.974 0.909 . . . . 0.0 110.712 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.7 -34.36 64.81 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.18 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.19 -27.63 69.49 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.606 0.362 . . . . 0.0 111.042 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.28 -60.25 3.64 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 32' ' ' PRO . 26.1 mt -63.1 -22.68 67.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.712 0.805 . . . . 0.0 112.662 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -84.8 -36.04 21.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.356 1.063 . . . . 0.0 112.081 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.7 mt -125.84 -61.86 1.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.725 -167.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.09 -7.93 57.56 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.667 0.787 . . . . 0.0 112.735 -167.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 40.81 0.35 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.733 1.213 . . . . 0.0 108.957 -173.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -20.47 27.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 113.988 -1.46 . . . . 0.0 113.006 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.34 -14.62 61.33 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.94 0.496 . . . . 0.0 112.204 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -101.11 -6.95 23.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.272 0.629 . . . . 0.0 111.604 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.53 145.19 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.002 0.521 . . . . 0.0 109.826 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.6 m-85 -125.84 96.82 36.92 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.769 0.828 . . . . 0.0 110.881 -173.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.1 Cg_endo -77.14 124.86 7.51 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 122.714 2.276 . . . . 0.0 112.135 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.7 t -66.93 101.75 0.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -50.27 -43.02 53.16 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.471 1.509 . . . . 0.0 114.868 -155.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.2 m-85 -79.75 -13.01 59.75 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.932 -165.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 p -133.56 145.25 55.56 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.717 0.807 . . . . 0.0 109.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.8 89.53 0.29 Allowed 'Trans proline' 0 CA--C 1.557 1.632 0 C-N-CA 121.685 1.59 . . . . 0.0 111.776 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.67 103.58 1.92 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.961 0.905 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 86.1 m -94.93 137.44 33.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.185 0.594 . . . . 0.0 111.183 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -113.29 167.3 10.67 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.213 1.005 . . . . 0.0 109.797 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.1 20.74 16.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.758 0.823 . . . . 0.0 109.81 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -160.32 140.86 11.77 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.221 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 32.2 t -68.75 -39.37 14.19 Favored Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 123.98 0.912 . . . . 0.0 112.865 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' SER . 23.8 Cg_endo -61.68 -33.57 85.82 Favored 'Trans proline' 0 C--N 1.393 2.911 0 CA-C-N 121.287 1.495 . . . . 0.0 111.382 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.542 ' HA2' ' HE ' ' A' ' 74' ' ' ARG . . . -63.44 -40.76 99.19 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 123.421 0.451 . . . . 0.0 112.551 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 57' ' ' PHE . 57.3 tp -54.85 -50.93 67.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.366 1.066 . . . . 0.0 110.415 172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.0 m -61.99 -38.79 89.93 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.326 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.542 ' HE ' ' HA2' ' A' ' 71' ' ' GLY . 50.2 mtm180 -65.97 -23.23 66.55 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.43 -53.79 11.21 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -53.72 -36.81 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.186 1.394 . . . . 0.0 112.069 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.58 -53.74 5.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.259 0.623 . . . . 0.0 112.033 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -90.83 -62.9 1.35 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -171.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.2 t -100.22 12.14 37.73 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.329 0.652 . . . . 0.0 111.818 -164.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.7 t-160 -143.64 57.68 5.56 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.58 -60.58 0.82 Allowed 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 124.327 3.352 . . . . 0.0 114.829 -164.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 m -124.34 85.5 2.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.81 64.44 3.78 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.085 0.945 . . . . 0.0 109.037 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.27 89.73 5.59 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.153 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 123.738 0.815 . . . . 0.0 109.423 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.38 160.12 27.23 Favored Glycine 0 C--N 1.341 0.811 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.594 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -138.49 77.15 1.61 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -153.47 144.6 22.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.205 1.402 . . . . 0.0 109.102 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.53 91.07 4.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.326 0.65 . . . . 0.0 109.546 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -145.35 90.09 1.99 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.07 0.948 . . . . 0.0 108.995 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -132.04 87.18 2.41 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.97 0.908 . . . . 0.0 108.733 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -152.77 137.3 16.81 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.424 1.09 . . . . 0.0 109.07 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 p -85.62 120.96 27.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 122.904 0.482 . . . . 0.0 111.893 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -97.31 -8.32 29.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.829 0.852 . . . . 0.0 110.274 166.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.82 131.12 54.27 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.423 1.089 . . . . 0.0 108.632 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.16 144.06 15.56 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.91 142.45 58.4 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.26 0.624 . . . . 0.0 111.39 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.42 -124.45 0.82 Allowed Glycine 0 C--N 1.341 0.85 0 O-C-N 123.848 0.718 . . . . 0.0 111.754 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -168.74 142.53 3.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.049 0.54 . . . . 0.0 109.839 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.73 94.88 0.21 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.75 93.93 5.82 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.565 0.746 . . . . 0.0 110.158 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.15 137.93 2.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.443 -0.344 . . . . 0.0 112.931 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 m -129.49 -167.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.145 1.378 . . . . 0.0 109.165 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 pp -135.45 140.01 44.53 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.78 37.06 0.89 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.82 -31.47 51.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.691 0.796 . . . . 0.0 111.294 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.6 m -60.33 108.59 0.83 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.209 1.004 . . . . 0.0 112.293 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.32 86.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.465 0.706 . . . . 0.0 111.19 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 64.7 89.61 0.09 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.099 1.36 . . . . 0.0 111.404 175.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.44 165.83 24.27 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.739 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.02 88.13 0.58 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.144 0.578 . . . . 0.0 109.617 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 78.9 m -141.99 -178.28 5.62 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.201 1.0 . . . . 0.0 109.308 -177.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.26 117.0 7.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.566 0.542 . . . . 0.0 109.694 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -103.8 120.83 41.78 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 30.6 t -58.16 106.65 0.73 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.164 0.986 . . . . 0.0 108.749 171.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.608 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.5 Cg_exo -46.37 -26.61 4.16 Favored 'Trans proline' 0 C--N 1.388 2.608 0 C-N-CA 124.143 3.228 . . . . 0.0 115.742 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 t -92.72 -19.96 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 C-N-CA 123.579 0.751 . . . . 0.0 111.456 -173.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -150.86 122.08 7.78 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.106 0.562 . . . . 0.0 109.641 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 112.84 5.21 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -164.99 129.38 2.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.767 0.827 . . . . 0.0 109.018 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 36.6 p -83.52 132.24 34.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 111.256 -173.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.14 128.08 37.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.987 0.915 . . . . 0.0 109.307 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.8 -22.73 19.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -90.07 123.89 34.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.212 1.005 . . . . 0.0 109.486 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 64.3 tttp -60.27 -46.06 91.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.66 0.784 . . . . 0.0 111.527 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.22 65.88 Favored Glycine 0 C--N 1.343 0.961 0 O-C-N 123.912 0.757 . . . . 0.0 113.982 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.65 80.61 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.581 0.752 . . . . 0.0 110.969 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.68 -43.92 83.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.94 0.896 . . . . 0.0 111.034 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 28.8 mm-40 -63.55 -55.74 21.43 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.737 0.815 . . . . 0.0 110.228 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.1 ptp180 -65.08 -24.63 67.51 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 123.88 0.737 . . . . 0.0 111.694 -175.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -67.49 -44.28 78.87 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.055 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HD2' ' A' ' 32' ' ' PRO . 69.5 mt -77.53 -63.48 1.37 Allowed 'General case' 0 C--O 1.212 -0.883 0 O-C-N 123.221 0.326 . . . . 0.0 111.416 -177.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.548 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 2.4 ptm180 -64.48 -20.19 66.03 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -172.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 mt -114.32 -66.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.74 0.416 . . . . 0.0 110.727 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.91 -27.16 57.56 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.528 0.731 . . . . 0.0 112.597 -168.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -138.95 44.0 2.05 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.187 0.995 . . . . 0.0 109.939 -169.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -81.76 3.05 27.2 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.964 -1.471 . . . . 0.0 112.69 -176.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.07 -46.11 82.53 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.312 0.645 . . . . 0.0 111.25 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.64 -42.51 11.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.064 0.546 . . . . 0.0 111.572 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -79.92 169.03 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.92 0.391 . . . . 0.0 110.557 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 93.1 m-85 -129.25 83.68 64.78 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.945 0.898 . . . . 0.0 110.252 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.5 Cg_exo -73.86 119.2 5.76 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 123.15 2.567 . . . . 0.0 111.575 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.4 t -63.61 102.14 0.41 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -51.75 -41.38 61.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -149.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 22.3 m-85 -81.67 -7.08 59.55 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.369 0.531 . . . . 0.0 111.251 -171.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 20.2 p -132.5 149.54 73.36 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.606 0.762 . . . . 0.0 109.548 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.72 1.24 3.94 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.844 2.363 . . . . 0.0 114.567 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.14 104.17 0.55 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.594 0.758 . . . . 0.0 110.445 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 28.8 m -105.88 137.71 43.3 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.04 0.936 . . . . 0.0 110.566 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.26 168.48 9.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.283 1.033 . . . . 0.0 109.547 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HD1' HG12 ' A' ' 56' ' ' VAL . 17.8 t80 -115.24 8.53 15.53 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.153 0.581 . . . . 0.0 109.593 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -142.56 142.82 32.24 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 123.523 0.729 . . . . 0.0 109.904 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 14.7 m -66.67 -42.0 42.43 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 124.609 1.164 . . . . 0.0 112.786 -176.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.1 -34.56 94.4 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 121.654 1.569 . . . . 0.0 112.317 170.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -41.9 98.73 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 123.394 0.434 . . . . 0.0 112.589 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 69' ' ' SER . 52.6 tp -51.22 -47.76 62.23 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.845 1.258 . . . . 0.0 111.262 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -74.09 -31.36 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.624 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -66.75 -28.74 68.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.89 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 14.6 t-80 -68.93 -34.22 75.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.817 0.735 . . . . 0.0 110.199 176.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.692 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 57.0 mt -63.89 -54.69 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 124.305 1.003 . . . . 0.0 109.7 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -67.6 -25.5 65.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.575 0.75 . . . . 0.0 112.628 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.67 -60.69 1.99 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.165 0.586 . . . . 0.0 111.821 -175.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -149.15 31.93 0.75 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.981 0.512 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.1 t-160 -145.63 72.51 14.01 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 120.708 0.29 . . . . 0.0 110.974 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.14 -6.71 14.03 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 122.368 2.045 . . . . 0.0 112.964 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -75.09 83.56 2.3 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.674 0.749 . . . . 0.0 109.785 176.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -121.1 -57.41 1.87 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.664 -171.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 65.02 -82.52 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.571 1.548 . . . . 0.0 110.48 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 . . . . . 0 CA--C 1.555 1.168 0 C-N-CA 124.133 0.973 . . . . 0.0 109.952 173.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.32 173.48 44.44 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.408 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -90.92 95.42 10.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.467 0.707 . . . . 0.0 110.446 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -77.99 92.14 4.3 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -63.22 89.2 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -163.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 70.24 -10.44 0.66 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 126.277 1.831 . . . . 0.0 114.102 169.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -81.8 141.22 33.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.358 0.663 . . . . 0.0 111.036 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -131.26 166.26 21.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.006 1.323 . . . . 0.0 108.344 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -140.32 -71.03 0.38 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.044 0.538 . . . . 0.0 110.896 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 m170 64.82 171.39 0.2 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.901 1.28 . . . . 0.0 111.782 -173.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -153.34 116.67 4.63 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.188 0.595 . . . . 0.0 109.786 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.29 125.51 1.22 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.3 -30.66 20.69 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.178 0.591 . . . . 0.0 111.078 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.63 69.43 1.4 Allowed Glycine 0 C--N 1.35 1.313 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -173.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -54.73 -47.96 73.14 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.087 0.955 . . . . 0.0 112.392 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.69 -108.35 2.07 Favored Glycine 0 C--N 1.352 1.427 0 O-C-N 123.775 0.672 . . . . 0.0 112.965 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.16 -156.81 0.66 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.931 0.892 . . . . 0.0 109.54 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.17 -162.53 17.05 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.3 m -90.5 156.65 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 121.182 0.515 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.8 mt -125.85 -53.0 1.55 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.209 1.004 . . . . 0.0 108.738 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.22 143.58 8.1 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.352 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.7 tp -93.36 115.16 27.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 109.44 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m -71.53 94.01 1.25 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.265 0.626 . . . . 0.0 110.042 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.16 176.55 0.18 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.847 1.259 . . . . 0.0 111.718 -175.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.7 m -147.08 129.01 15.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.654 0.782 . . . . 0.0 109.006 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 112.43 2.76 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.458 0.474 . . . . 0.0 109.932 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -75.8 81.94 2.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.582 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.8 m -146.14 -66.94 0.29 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -148.59 134.74 19.28 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.784 0.833 . . . . 0.0 110.55 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.4 mt -126.98 135.44 50.86 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 174.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 34.6 t -56.87 109.45 1.72 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 118.63 0.65 . . . . 0.0 109.597 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -37.95 -37.91 0.65 Allowed 'Trans proline' 0 C--N 1.392 2.825 1 C-N-CA 125.362 4.041 . . . . 0.0 117.056 -166.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 t -92.45 -22.83 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 C-N-CA 123.12 0.568 . . . . 0.0 112.02 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.612 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 21.5 p -133.26 126.91 32.53 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.857 0.463 . . . . 0.0 110.588 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.86 111.28 3.79 Favored Glycine 0 C--N 1.362 1.982 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -160.29 109.2 1.71 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -163.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 m -69.05 116.75 9.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.949 0.9 . . . . 0.0 112.836 -168.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -130.88 160.08 35.51 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 123.9 0.88 . . . . 0.0 109.886 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.74 -55.46 2.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.29 1.036 . . . . 0.0 108.612 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.3 t -75.45 136.18 40.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.949 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.1 ttpt -72.9 -21.97 60.82 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.196 0.31 . . . . 0.0 110.597 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 -33.32 72.55 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -80.93 -23.07 39.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.206 1.002 . . . . 0.0 111.784 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.9 -44.46 63.67 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 0.0 110.112 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 22.7 mm-40 -75.18 -25.69 58.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 10.7 ptp180 -61.12 -40.57 94.3 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 123.325 0.391 . . . . 0.0 110.31 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t-80 -68.66 -36.37 78.48 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 95.9 mt -67.16 -39.89 86.58 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.083 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' HD3' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -85.45 -19.23 31.6 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 178.245 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 82.4 mt -93.18 -81.45 0.36 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.69 0.396 . . . . 0.0 111.521 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.417 HD12 ' NE2' ' A' ' 47' ' ' HIS . 80.3 mt -89.47 -47.86 7.71 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.554 . . . . 0.0 110.887 -168.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.4 m170 -83.08 39.72 0.66 Allowed 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.522 1.129 . . . . 0.0 111.195 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' LEU . . . -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.132 1.373 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.51 -20.26 64.57 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.261 0.624 . . . . 0.0 111.096 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -85.27 -11.3 55.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.658 0.783 . . . . 0.0 112.23 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.9 163.07 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 120.929 0.395 . . . . 0.0 110.164 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -131.18 83.32 60.51 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.618 1.167 . . . . 0.0 108.859 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.11 124.95 6.24 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.616 2.21 . . . . 0.0 112.118 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 15.4 t -66.26 102.98 0.91 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.85 -39.42 53.56 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.178 1.791 . . . . 0.0 114.841 -154.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.38 -9.1 59.14 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.545 0.738 . . . . 0.0 112.032 -170.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.541 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.4 p -132.79 150.82 76.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.015 0.926 . . . . 0.0 110.457 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.23 80.69 2.63 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.197 1.931 . . . . 0.0 111.282 173.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.59 106.05 3.52 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.267 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 p -91.88 136.2 33.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.446 0.641 . . . . 0.0 110.983 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -119.29 149.1 42.35 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.859 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -97.08 13.11 30.25 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 122.177 -0.327 . . . . 0.0 110.673 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 m -139.92 136.89 34.34 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.97 0.908 . . . . 0.0 109.678 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.7 p -71.01 -34.58 3.55 Favored Pre-proline 0 CA--C 1.568 1.662 0 C-N-CA 123.729 0.811 . . . . 0.0 112.512 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 -36.21 78.08 Favored 'Trans proline' 0 C--N 1.395 3.021 0 CA-C-N 121.358 1.521 . . . . 0.0 111.825 165.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.05 88.3 Favored Glycine 0 C--N 1.36 1.89 0 O-C-N 123.649 0.593 . . . . 0.0 112.664 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.67 -49.84 76.16 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.474 1.11 . . . . 0.0 109.887 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 17.8 m -69.31 -24.11 63.89 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.766 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.6 mmp_? -62.17 -50.84 70.25 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.616 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 6.2 t-80 -69.97 -21.22 63.26 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 117.89 0.314 . . . . 0.0 111.13 -177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 73' ' ' THR . 81.6 mt -66.74 -65.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -66.18 -13.52 60.37 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 85.0 tttt -91.9 -61.23 1.67 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.867 0.867 . . . . 0.0 111.233 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 75.4 m -138.41 11.21 2.76 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -167.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.541 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 6.1 m80 -145.49 52.71 1.66 Allowed Pre-proline 0 N--CA 1.492 1.644 0 C-N-CA 123.202 0.601 . . . . 0.0 111.034 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 40.3 Cg_endo -97.97 -156.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 0 C-N-CA 123.193 2.595 . . . . 0.0 111.613 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m 62.42 27.15 16.18 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.4 1.08 . . . . 0.0 110.405 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.23 63.19 7.07 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.097 0.959 . . . . 0.0 109.591 -173.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 170.87 -53.02 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 C-N-CA 126.958 2.103 . . . . 0.0 106.427 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 CA--C 1.561 1.387 0 C-N-CA 125.671 1.588 . . . . 0.0 109.9 178.099 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.99 48.46 1.07 Allowed Glycine 0 C--N 1.348 1.234 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -72.63 90.1 1.35 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.77 -64.11 1.1 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 57.25 19.05 4.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.801 1.24 . . . . 0.0 112.206 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -101.69 97.14 7.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.634 0.774 . . . . 0.0 110.096 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -143.36 95.59 2.78 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.077 0.951 . . . . 0.0 108.993 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -100.6 84.89 2.82 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 p -147.93 100.46 3.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.339 0.656 . . . . 0.0 110.883 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -86.19 -42.46 13.81 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttp -66.42 95.17 0.3 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.476 0.71 . . . . 0.0 110.676 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.31 45.77 0.3 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.726 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -102.57 136.95 41.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.813 0.845 . . . . 0.0 109.819 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.81 59.23 0.01 OUTLIER Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.702 -0.559 . . . . 0.0 111.702 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.48 126.83 30.82 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.86 136.47 4.32 Favored Glycine 0 C--O 1.241 0.541 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.114 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.92 79.66 1.2 Allowed 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.92 53.32 4.72 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.549 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.4 m -123.11 164.08 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.243 1.017 . . . . 0.0 109.75 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 pp -107.8 154.24 21.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.811 0.844 . . . . 0.0 109.716 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.11 38.23 0.08 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 112.576 -0.209 . . . . 0.0 112.576 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -148.48 149.66 32.05 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 t -63.02 -38.06 89.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.109 0.964 . . . . 0.0 110.709 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 69.52 167.15 0.28 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.615 1.566 . . . . 0.0 112.25 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 p -85.79 103.19 14.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.796 0.838 . . . . 0.0 111.211 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.19 -179.19 6.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.752 0.821 . . . . 0.0 111.553 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 77.85 -52.43 0.52 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.766 1.627 . . . . 0.0 112.636 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.31 -65.24 0.71 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.315 1.046 . . . . 0.0 113.042 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.453 ' HB3' ' NE2' ' A' ' 44' ' ' GLN . 35.1 m80 -140.41 141.1 35.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.08 0.952 . . . . 0.0 110.02 -175.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 71.7 mt -134.9 138.62 44.28 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB2' ' HE2' ' A' ' 38' ' ' PHE . 53.1 t -58.47 109.96 2.24 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 173.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.579 ' HD2' HD21 ' A' ' 48' ' ' LEU . 83.6 Cg_exo -48.89 -35.25 30.87 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 123.758 2.972 . . . . 0.0 115.039 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.9 -31.0 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.561 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 14.3 p -142.61 112.07 6.7 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.18 112.16 2.44 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.059 0.225 . . . . 0.0 112.777 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 9.0 tp10 -147.16 122.64 10.39 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -70.73 120.42 16.3 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.399 0.68 . . . . 0.0 112.517 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 39.5 m-85 -136.79 145.97 45.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.555 1.142 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.31 -46.13 4.49 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.822 -0.806 . . . . 0.0 108.822 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -65.73 132.19 48.15 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.166 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 62.4 pttt -71.18 -24.94 62.33 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.152 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -38.18 74.43 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.376 0.423 . . . . 0.0 112.217 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.25 63.52 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.379 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 29' ' ' HIS . 4.7 tp-100 -59.05 -51.43 70.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.844 0.857 . . . . 0.0 110.658 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 9.0 mm-40 -76.01 -17.54 59.64 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.723 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -60.13 -52.34 65.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.558 0.743 . . . . 0.0 111.902 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -68.6 -31.14 70.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.579 HD21 ' HD2' ' A' ' 32' ' ' PRO . 59.0 mt -70.01 -37.81 75.77 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.27 -26.58 33.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.869 0.304 . . . . 0.0 110.718 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -96.94 -82.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.821 0.448 . . . . 0.0 111.682 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.94 2.11 56.18 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -166.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.561 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.1 m170 -138.69 37.65 2.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.883 0.849 . . . . 0.0 109.784 173.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -69.3 -14.2 62.81 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.146 177.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.19 64.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.443 1.097 . . . . 0.0 112.702 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -108.94 -14.75 14.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.85 0.46 . . . . 0.0 112.169 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 53' ' ' ALA . 32.0 m -98.45 149.53 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 72' ' ' LEU . 94.0 m-85 -133.4 83.91 48.17 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 123.963 0.905 . . . . 0.0 109.3 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 57.6 Cg_endo -70.35 124.12 10.54 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.549 2.166 . . . . 0.0 111.733 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.5 t -56.18 114.09 1.82 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -45.58 -34.21 3.24 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.055 1.342 . . . . 0.0 114.571 -164.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.26 -28.12 14.21 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.155 0.582 . . . . 0.0 112.295 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.8 p -133.85 138.41 30.77 Favored Pre-proline 0 N--CA 1.491 1.59 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -62.81 9.68 0.1 Allowed 'Trans proline' 0 N--CA 1.51 2.473 0 C-N-CA 123.938 3.092 . . . . 0.0 116.074 -172.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.91 97.39 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.636 0.774 . . . . 0.0 110.311 167.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.3 m -95.41 111.72 23.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.174 0.589 . . . . 0.0 110.591 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -94.79 123.35 38.19 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 110.146 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -82.16 47.86 1.18 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.1 p -158.6 136.29 10.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.16 0.584 . . . . 0.0 110.08 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 m -60.71 -47.37 96.12 Favored Pre-proline 0 CA--C 1.563 1.473 0 C-N-CA 123.601 0.76 . . . . 0.0 112.096 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.56 -40.05 19.35 Favored 'Trans proline' 0 C--N 1.387 2.603 0 CA-C-N 121.24 1.478 . . . . 0.0 112.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.74 -36.28 71.44 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.489 0.493 . . . . 0.0 114.149 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 57' ' ' PHE . 55.7 tp -58.89 -52.81 64.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.777 0.831 . . . . 0.0 110.351 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 m -65.33 -33.88 77.01 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.268 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.01 -39.65 90.42 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.484 0.714 . . . . 0.0 112.07 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -69.24 -57.52 5.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.5 mt -56.56 -35.22 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 124.215 1.006 . . . . 0.0 112.877 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -87.35 -48.19 8.19 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -92.57 -61.88 1.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -171.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 45.8 t -92.64 1.28 57.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.29 0.636 . . . . 0.0 111.954 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -152.92 47.37 0.38 Allowed Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 123.262 0.625 . . . . 0.0 109.62 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.25 -57.08 0.1 Allowed 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.858 2.372 . . . . 0.0 114.494 -163.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' ARG . 38.8 m -104.15 85.79 2.44 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.352 0.661 . . . . 0.0 110.595 -171.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -71.88 0.58 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.267 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -106.76 2.64 25.8 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.585 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' SER . 7.6 tpm_? . . . . . 0 CA--C 1.553 1.068 0 C-N-CA 123.468 0.707 . . . . 0.0 111.157 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtm . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.18 101.01 2.48 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -79.62 -61.7 1.92 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -175.66 -23.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.445 1.098 . . . . 0.0 111.167 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 m80 74.37 169.64 0.29 Allowed 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 125.562 1.545 . . . . 0.0 112.442 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -91.83 95.04 9.62 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.81 0.844 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -106.44 115.7 30.66 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.772 0.829 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.65 31.64 2.28 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.483 1.113 . . . . 0.0 109.308 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -63.92 120.23 11.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.514 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -163.79 146.64 9.72 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 108.797 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 72.9 151.36 0.11 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.901 1.28 . . . . 0.0 111.107 177.768 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.444 ' N ' ' SD ' ' A' ' 11' ' ' MET . . . 106.22 33.53 3.41 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-O 119.896 -0.391 . . . . 0.0 112.489 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.56 179.57 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.016 1.326 . . . . 0.0 111.472 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.34 54.27 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 111.46 3.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 109.326 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 72.41 1.94 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.63 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.83 137.09 57.89 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.527 0.731 . . . . 0.0 111.15 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 77.45 0.51 Allowed Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.048 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.42 161.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 123.759 0.824 . . . . 0.0 111.551 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.75 -179.81 7.05 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.667 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.3 14.18 24.78 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-O 119.556 -0.58 . . . . 0.0 113.437 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp 59.0 81.9 0.15 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.581 1.153 . . . . 0.0 110.983 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -91.69 107.93 19.55 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.191 0.596 . . . . 0.0 111.111 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.03 173.02 11.3 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.752 168.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 t -63.23 90.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.412 0.685 . . . . 0.0 110.562 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.8 151.84 28.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.637 0.775 . . . . 0.0 110.175 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -147.29 81.3 1.53 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.2 p -167.64 -178.16 3.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.086 0.954 . . . . 0.0 110.046 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.49 138.15 34.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.154 0.982 . . . . 0.0 109.774 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.0 mt -133.09 140.8 47.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.617 0.767 . . . . 0.0 109.986 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.6 t -80.99 100.51 0.7 Allowed Pre-proline 0 N--CA 1.479 0.989 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 166.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD2' HD21 ' A' ' 48' ' ' LEU . 24.4 Cg_endo -56.43 -19.54 29.33 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.366 2.711 . . . . 0.0 114.79 -169.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 t -82.03 -27.34 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 123.363 0.665 . . . . 0.0 111.453 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.6 129.22 20.3 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.015 0.526 . . . . 0.0 110.338 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 109.64 2.65 Favored Glycine 0 C--N 1.353 1.508 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -164.91 119.41 1.32 Allowed 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.059 0.943 . . . . 0.0 109.103 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.5 p -79.69 143.01 34.98 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.584 0.754 . . . . 0.0 110.704 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.98 131.72 27.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.508 1.123 . . . . 0.0 109.43 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.05 15.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -81.93 157.05 24.45 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.084 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -74.18 -54.45 7.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.889 0.876 . . . . 0.0 110.027 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.37 -28.76 67.7 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 124.248 0.968 . . . . 0.0 113.556 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.53 88.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.648 0.779 . . . . 0.0 111.078 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -65.77 -50.19 65.64 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.31 0.644 . . . . 0.0 110.316 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.533 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -30.05 63.15 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.435 0.459 . . . . 0.0 110.864 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -70.04 -21.36 63.19 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.579 178.214 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.9 mt -87.53 -65.46 1.01 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.657 0.783 . . . . 0.0 110.919 171.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -53.6 -43.58 68.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.439 1.495 . . . . 0.0 111.445 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.56 -70.36 0.58 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.758 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.7 -68.78 0.65 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.03 0.532 . . . . 0.0 112.014 -167.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -90.8 61.33 4.72 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.504 1.122 . . . . 0.0 111.383 -171.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -96.76 1.27 50.65 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.423 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -21.19 55.77 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.847 0.459 . . . . 0.0 111.578 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -109.61 -10.95 14.82 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.13 0.572 . . . . 0.0 111.869 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 53' ' ' ALA . 20.2 m -111.18 155.64 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 121.246 0.545 . . . . 0.0 109.724 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.12 84.58 47.77 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 109.556 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 65.6 Cg_endo -73.34 116.03 4.55 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.364 2.042 . . . . 0.0 111.339 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 37.9 t -60.14 102.54 0.17 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -40.02 -50.23 2.55 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -151.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -84.39 -10.66 57.35 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 -164.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 15.6 p -131.36 161.6 61.02 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.192 0.997 . . . . 0.0 109.509 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -77.5 -0.27 10.46 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.338 2.025 . . . . 0.0 114.005 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -64.66 97.98 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.955 0.902 . . . . 0.0 110.728 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.0 m -103.03 139.38 38.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.806 0.842 . . . . 0.0 110.034 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -126.28 149.59 49.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.089 0.956 . . . . 0.0 109.578 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -91.52 18.03 7.88 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.987 0.515 . . . . 0.0 110.835 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 70' ' ' PRO . 50.2 m -147.78 136.43 21.79 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.841 0.856 . . . . 0.0 109.762 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 22.9 t -67.52 -35.59 8.56 Favored Pre-proline 0 CA--C 1.566 1.566 0 C-N-CA 123.911 0.885 . . . . 0.0 112.144 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' A' ' 68' ' ' SER . 7.2 Cg_endo -51.59 -52.84 8.14 Favored 'Trans proline' 0 C--N 1.403 3.431 0 C-N-CA 122.182 1.921 . . . . 0.0 111.693 165.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.37 -35.76 89.33 Favored Glycine 0 C--N 1.358 1.759 0 O-C-N 123.883 0.739 . . . . 0.0 113.67 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 tp -54.09 -55.32 28.63 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -75.01 -24.69 58.43 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.831 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -61.28 -38.72 87.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.982 0.513 . . . . 0.0 111.444 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.8 t-80 -65.24 -38.83 91.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.1 mt -58.94 -62.96 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.359 1.064 . . . . 0.0 111.024 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -67.54 -32.15 72.73 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.673 0.789 . . . . 0.0 112.747 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.675 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 34.8 ttpt -90.19 -59.59 2.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.324 0.649 . . . . 0.0 111.978 -172.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 80.6 m -142.21 42.95 1.66 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 4.0 t60 -139.27 76.1 32.57 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.58 20.1 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.244 2.629 . . . . 0.0 114.062 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.4 p -93.51 -2.49 54.3 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.007 0.523 . . . . 0.0 112.193 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -109.15 23.71 14.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.428 0.691 . . . . 0.0 111.681 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -70.65 -45.42 65.18 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 0.0 110.433 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 123.855 0.862 . . . . 0.0 108.693 178.064 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.518 0.199 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.78 -104.05 1.84 Allowed Glycine 0 C--N 1.341 0.843 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -172.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 68.31 143.7 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.063 1.345 . . . . 0.0 112.465 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -68.49 103.52 1.69 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.232 0.613 . . . . 0.0 110.876 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -76.51 88.73 3.25 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -147.63 110.68 4.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.395 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -104.02 140.92 37.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.646 1.179 . . . . 0.0 110.179 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -100.07 163.25 12.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.985 0.914 . . . . 0.0 109.59 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.4 t -88.65 146.42 25.09 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -164.61 118.75 1.36 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.429 0.691 . . . . 0.0 110.089 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.93 154.43 20.83 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.912 0.485 . . . . 0.0 109.943 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.56 80.15 0.05 OUTLIER Glycine 0 C--N 1.342 0.91 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -113.82 140.42 48.34 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.639 0.776 . . . . 0.0 110.038 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.92 111.66 2.15 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.68 0.613 . . . . 0.0 112.363 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -86.91 125.78 34.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.439 0.696 . . . . 0.0 109.721 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.61 154.31 21.27 Favored Glycine 0 C--N 1.341 0.847 0 O-C-N 123.118 0.261 . . . . 0.0 113.147 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.38 96.91 2.09 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.444 1.098 . . . . 0.0 109.317 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.88 158.51 27.16 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.348 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.4 167.42 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.31 0.644 . . . . 0.0 111.769 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -115.42 -179.77 3.74 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.994 0.918 . . . . 0.0 109.813 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.04 123.21 4.22 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.014 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.21 179.15 5.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.519 0.728 . . . . 0.0 111.113 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -140.13 156.14 46.68 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.116 0.966 . . . . 0.0 109.726 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.76 93.19 0.06 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.746 1.218 . . . . 0.0 111.846 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -122.52 166.63 14.49 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.916 0.886 . . . . 0.0 109.791 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.9 173.71 7.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.509 0.724 . . . . 0.0 111.487 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -90.6 104.69 17.24 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.217 1.007 . . . . 0.0 110.498 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -120.0 167.25 12.36 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.84 0.856 . . . . 0.0 109.731 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -94.18 115.09 27.32 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.32 137.17 40.92 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.823 0.449 . . . . 0.0 110.3 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 20.2 t -55.53 108.59 1.22 Allowed Pre-proline 0 N--CA 1.483 1.177 0 C-N-CA 123.736 0.814 . . . . 0.0 108.822 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' HD11 ' A' ' 48' ' ' LEU . 20.4 Cg_endo -57.09 -3.16 0.65 Allowed 'Trans proline' 0 N--CA 1.506 2.213 0 C-N-CA 123.943 3.095 . . . . 0.0 116.886 -166.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.46 -13.82 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-N 118.293 0.497 . . . . 0.0 111.493 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.561 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 28.0 p -144.07 125.62 14.93 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.595 0.758 . . . . 0.0 109.874 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.81 2.13 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -170.91 97.6 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -164.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 p -77.09 136.51 38.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.651 0.78 . . . . 0.0 112.618 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -131.76 148.59 52.58 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.259 1.024 . . . . 0.0 109.399 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.96 -29.85 62.21 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.229 0.612 . . . . 0.0 110.931 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -117.57 156.66 27.71 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.807 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.34 -22.68 47.66 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.99 -41.67 99.68 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 121.239 0.355 . . . . 0.0 112.662 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.77 -18.59 59.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.772 0.829 . . . . 0.0 111.142 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -78.96 -51.01 10.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.437 0.695 . . . . 0.0 110.749 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.611 ' HA ' HD12 ' A' ' 48' ' ' LEU . 23.3 mm-40 -68.91 -23.32 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.949 -173.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -39.03 76.43 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.117 0.261 . . . . 0.0 110.886 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 5.5 t-80 -66.46 -26.03 67.0 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.441 0.639 . . . . 0.0 109.829 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 45' ' ' GLU . 71.0 mt -74.46 -65.6 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.48 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.417 HH11 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -62.13 -19.45 63.04 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.002 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HH11 ' A' ' 49' ' ' ARG . 95.8 mt -79.13 -76.06 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.564 0.346 . . . . 0.0 110.683 171.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.0 mt -100.79 -52.93 3.19 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.042 0.537 . . . . 0.0 111.816 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.561 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 31.3 m170 -87.25 47.61 1.53 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.293 1.037 . . . . 0.0 112.501 -169.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -91.16 4.14 52.99 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.79 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.33 71.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.37 0.268 . . . . 0.0 111.32 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -82.18 -29.25 31.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.874 0.469 . . . . 0.0 111.826 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HD13 ' A' ' 48' ' ' LEU . 32.1 m -103.82 159.02 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.611 0.719 . . . . 0.0 112.24 -176.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 92.4 m-85 -132.68 85.33 47.65 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.282 1.033 . . . . 0.0 109.779 -172.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.93 117.41 4.91 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.591 2.194 . . . . 0.0 112.532 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -67.91 99.07 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 165.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -62.89 -26.45 68.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -151.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.45 -23.31 65.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.715 0.806 . . . . 0.0 111.187 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.438 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.0 p -124.42 137.79 29.85 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.395 1.078 . . . . 0.0 108.963 175.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.65 76.87 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 122.345 2.03 . . . . 0.0 111.486 171.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.08 107.33 4.04 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.113 0.965 . . . . 0.0 109.657 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 p -93.01 140.73 29.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.659 0.742 . . . . 0.0 111.598 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.03 168.46 9.41 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.308 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -116.86 6.32 13.1 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.297 0.57 . . . . 0.0 109.926 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.8 p -133.33 139.25 46.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.312 1.045 . . . . 0.0 110.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 15.8 m -62.59 -39.99 60.37 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.453 176.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' SER . 13.5 Cg_endo -56.25 -45.6 36.7 Favored 'Trans proline' 0 C--N 1.407 3.606 0 C-N-CA 122.572 2.181 . . . . 0.0 112.028 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.09 -38.5 93.14 Favored Glycine 0 C--N 1.357 1.743 0 O-C-N 123.452 0.47 . . . . 0.0 113.268 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.0 tp -54.94 -55.91 25.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.367 1.067 . . . . 0.0 110.867 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -68.45 -26.02 65.29 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.527 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -72.11 -39.03 69.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.122 0.569 . . . . 0.0 111.479 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.4 t-80 -72.99 -22.34 60.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.29 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.58 -66.98 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -45.4 -41.89 9.66 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.679 1.191 . . . . 0.0 113.326 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -92.62 -60.01 1.93 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.975 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -101.7 -15.72 16.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -161.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.438 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 5.8 m80 -140.78 54.11 4.43 Favored Pre-proline 0 N--CA 1.483 1.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.717 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.86 86.24 1.53 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.315 2.677 . . . . 0.0 114.368 -159.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m 53.76 84.68 0.06 Allowed 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -67.77 -2.22 6.74 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.934 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -89.72 82.54 6.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.102 0.961 . . . . 0.0 109.125 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 . . . . . 0 CA--C 1.567 1.633 0 C-N-CA 124.557 1.143 . . . . 0.0 111.257 178.144 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.74 170.97 44.05 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.575 0.547 . . . . 0.0 112.667 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -131.91 127.66 36.9 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.155 0.982 . . . . 0.0 109.335 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -135.25 116.76 14.77 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.941 0.896 . . . . 0.0 109.232 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -84.5 136.66 33.73 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -108.27 72.54 0.84 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -124.1 124.51 42.67 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.398 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m170 62.97 93.79 0.05 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.699 1.199 . . . . 0.0 110.237 -167.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -87.13 160.18 18.63 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.695 0.798 . . . . 0.0 111.099 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -75.27 80.83 2.38 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.303 0.641 . . . . 0.0 109.772 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -149.68 69.4 1.03 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.803 1.287 . . . . 0.0 108.242 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.5 125.44 3.99 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.88 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -150.62 119.53 6.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 108.225 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.38 72.14 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -74.97 143.58 43.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.458 0.703 . . . . 0.0 110.415 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.17 -145.72 14.54 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.86 146.81 3.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.718 1.207 . . . . 0.0 109.114 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.27 173.51 14.89 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.2 m -79.64 -175.85 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.216 0.606 . . . . 0.0 110.065 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.8 mp -67.38 110.33 3.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 176.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.4 77.27 0.89 Allowed Glycine 0 C--N 1.345 1.037 0 O-C-N 123.76 0.663 . . . . 0.0 112.623 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.67 -46.91 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.2 p -89.36 82.61 6.46 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.887 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.12 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.798 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 p -65.52 97.5 0.31 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.526 0.73 . . . . 0.0 109.953 173.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.564 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -141.13 176.07 9.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 0.0 110.697 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 55.3 mt-10 -121.07 -78.53 0.6 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.725 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -148.72 -69.7 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.278 0.631 . . . . 0.0 110.008 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -82.87 116.25 22.1 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.564 HD21 ' HB1' ' A' ' 26' ' ' ALA . 48.9 mt -118.11 127.64 53.97 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 13.7 t -55.51 107.43 0.88 Allowed Pre-proline 0 N--CA 1.484 1.234 0 O-C-N 124.141 0.901 . . . . 0.0 109.232 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HD2' HD21 ' A' ' 48' ' ' LEU . 65.2 Cg_exo -46.46 -26.85 4.48 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.772 2.981 . . . . 0.0 116.014 -174.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 55' ' ' GLN . 6.6 t -84.78 -21.19 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.427 0 C-N-CA 123.046 0.538 . . . . 0.0 111.641 -177.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.494 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 19.9 p -152.0 119.02 5.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.466 0.706 . . . . 0.0 109.551 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.94 2.21 Favored Glycine 0 C--N 1.363 2.048 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 121.74 6.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -167.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 21.4 m -66.61 122.73 18.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.294 0.996 . . . . 0.0 111.968 -170.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -136.8 136.9 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 0.0 108.812 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.67 23.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.326 0.65 . . . . 0.0 110.457 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -99.92 152.37 20.24 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.016 0.927 . . . . 0.0 111.538 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.82 -51.17 35.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.016 0.926 . . . . 0.0 110.592 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.89 -21.63 67.76 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.266 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -71.6 -35.83 70.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.364 0.666 . . . . 0.0 110.729 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.52 -48.47 72.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.237 170.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.3 -27.92 66.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.463 -173.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 12.9 ptm180 -69.93 -32.47 70.76 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 118.17 0.441 . . . . 0.0 110.513 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -69.36 -39.42 78.1 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.326 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD21 ' HD2' ' A' ' 32' ' ' PRO . 92.4 mt -70.38 -38.4 74.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.076 0.95 . . . . 0.0 112.068 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -39.29 23.89 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.098 0.559 . . . . 0.0 110.65 -172.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.2 -59.02 1.8 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.59 0.756 . . . . 0.0 111.574 -172.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.53 -7.55 25.77 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -165.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.494 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -147.88 37.1 0.87 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.984 -175.309 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.18 85.95 3.64 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.058 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.2 -56.33 0.09 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.689 0.796 . . . . 0.0 109.988 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 33' ' ' VAL . 84.7 mm-40 -90.79 -0.73 57.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.994 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 48' ' ' LEU . 32.2 m -109.44 145.81 15.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.607 0.763 . . . . 0.0 109.68 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 88.5 m-85 -133.16 82.52 53.67 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 124.22 1.008 . . . . 0.0 110.181 -172.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -78.32 116.3 3.86 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.8 2.333 . . . . 0.0 111.766 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.5 t -57.84 109.58 0.75 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -32.44 -46.65 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -159.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -84.85 -8.63 58.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.529 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 28.1 p -133.52 153.13 80.19 Favored Pre-proline 0 N--CA 1.482 1.169 0 C-N-CA 123.154 0.582 . . . . 0.0 110.449 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.57 9.05 2.36 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.798 2.332 . . . . 0.0 113.341 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.489 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -61.63 93.66 0.04 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.875 0.87 . . . . 0.0 109.682 171.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -92.14 113.41 25.67 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.191 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.47 167.25 12.74 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.107 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -121.8 25.45 9.2 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -144.12 135.73 25.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.498 1.119 . . . . 0.0 108.844 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -64.61 -41.18 55.82 Favored Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 124.032 0.933 . . . . 0.0 111.864 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.76 -51.56 10.84 Favored 'Trans proline' 0 C--N 1.405 3.509 0 C-N-CA 122.367 2.044 . . . . 0.0 111.789 167.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.32 87.93 Favored Glycine 0 C--N 1.359 1.859 0 O-C-N 123.71 0.631 . . . . 0.0 113.554 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.9 tp -54.12 -57.07 12.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.603 1.161 . . . . 0.0 110.903 173.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -72.89 -22.85 60.69 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.171 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.85 -51.66 66.14 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.021 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.51 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 t-80 -66.68 -21.95 66.09 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 118.222 0.465 . . . . 0.0 110.698 -176.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.9 mt -70.77 -57.35 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.042 0.937 . . . . 0.0 110.626 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.34 -16.57 62.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.981 0.512 . . . . 0.0 111.31 -176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -90.23 -51.15 5.59 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.161 0.985 . . . . 0.0 110.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.9 t -147.08 4.18 0.82 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.529 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 3.4 m170 -145.41 73.73 14.12 Favored Pre-proline 0 N--CA 1.493 1.687 0 CA-C-N 119.181 0.9 . . . . 0.0 112.441 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -88.62 -149.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 123.552 2.834 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.1 t 68.25 21.1 8.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.052 0.941 . . . . 0.0 111.5 175.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.44 174.26 8.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.892 0.877 . . . . 0.0 110.427 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -83.96 -59.86 2.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 . . . . . 0 C--O 1.254 1.297 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.496 176.633 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.595 0.236 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 58.17 4.97 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.249 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -70.6 88.85 0.7 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.573 0.749 . . . . 0.0 109.626 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -103.67 104.09 14.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.686 0.794 . . . . 0.0 110.185 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -144.2 108.55 4.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.91 0.884 . . . . 0.0 109.764 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -122.86 96.16 4.91 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -103.14 100.87 10.8 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -131.69 128.08 38.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 109.426 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.4 p -85.13 -173.09 4.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.964 0.906 . . . . 0.0 111.046 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -143.65 144.7 32.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 109.405 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -124.57 125.83 44.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.517 0.727 . . . . 0.0 109.506 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.38 148.99 20.96 Favored Glycine 0 C--N 1.341 0.859 0 O-C-N 123.475 0.485 . . . . 0.0 112.076 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.24 -174.48 4.67 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.867 0.867 . . . . 0.0 109.829 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.72 133.96 1.85 Allowed Glycine 0 C--N 1.342 0.911 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -88.32 161.66 17.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 110.644 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.96 164.61 17.13 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.724 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.77 143.94 24.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.313 0.645 . . . . 0.0 110.382 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.51 117.89 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.41 156.5 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 123.995 0.918 . . . . 0.0 109.571 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -77.23 135.41 38.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.937 0.495 . . . . 0.0 110.097 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.9 92.17 1.78 Allowed Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.221 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.12 121.31 25.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.85 0.46 . . . . 0.0 109.878 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -115.52 96.41 5.62 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.44 91.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.065 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.3 m -80.67 84.96 6.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.028 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.24 89.13 6.5 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.366 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' HG2' ' SG ' ' A' ' 28' ' ' CYS . 36.8 tt0 -161.64 139.46 9.03 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.781 0.832 . . . . 0.0 109.283 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' HG2' ' A' ' 27' ' ' GLU . 61.3 m 73.36 178.26 0.23 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.79 1.236 . . . . 0.0 111.209 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -73.22 119.51 17.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.32 0.581 . . . . 0.0 110.631 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.1 145.47 28.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.149 0.98 . . . . 0.0 109.075 -174.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.2 t -56.04 101.47 0.26 Allowed Pre-proline 0 N--CA 1.485 1.302 0 O-C-N 123.908 0.755 . . . . 0.0 109.255 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HD2' HD11 ' A' ' 48' ' ' LEU . 40.5 Cg_endo -62.05 -1.62 2.4 Favored 'Trans proline' 0 C--N 1.375 1.921 0 C-N-CA 123.79 2.993 . . . . 0.0 116.759 -159.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 20.8 t -103.27 -31.38 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 CA-C-N 118.588 0.631 . . . . 0.0 111.23 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.532 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.2 p -125.28 131.36 53.1 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 122.985 0.514 . . . . 0.0 110.037 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.19 110.46 2.71 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -175.81 93.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -164.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 p -76.81 140.51 40.72 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.04 0.936 . . . . 0.0 112.725 -172.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -138.04 136.33 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.456 1.102 . . . . 0.0 110.512 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.97 -33.47 33.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.793 0.837 . . . . 0.0 110.226 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.4 t -91.29 140.06 30.15 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.54 0.736 . . . . 0.0 110.194 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -61.74 -48.29 81.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.658 0.783 . . . . 0.0 110.243 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.75 77.36 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.97 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.31 68.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.238 0.615 . . . . 0.0 111.104 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -70.65 -48.82 53.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.962 0.505 . . . . 0.0 110.233 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.09 -38.69 89.78 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.712 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -68.59 -26.55 65.43 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.533 0.52 . . . . 0.0 111.782 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.8 t-80 -68.91 -50.13 52.18 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HD2' ' A' ' 32' ' ' PRO . 97.1 mt -59.98 -34.11 72.85 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.996 0.918 . . . . 0.0 112.168 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -80.31 -38.06 31.44 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.808 0.843 . . . . 0.0 109.575 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.52 -71.36 0.76 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.299 0.64 . . . . 0.0 111.418 -171.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -89.9 0.54 57.0 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.285 0.634 . . . . 0.0 112.28 -166.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.532 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -140.32 26.9 2.15 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.116 0.966 . . . . 0.0 108.935 -179.392 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.14 81.57 1.28 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.218 1.007 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.24 -46.91 0.07 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.694 0.798 . . . . 0.0 110.113 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -89.14 0.85 56.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.416 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 48' ' ' LEU . 28.4 m -105.79 150.22 8.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 123.375 0.67 . . . . 0.0 110.795 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.9 m-85 -129.93 88.72 47.99 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.102 1.361 . . . . 0.0 109.46 -177.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 86.1 Cg_endo -79.58 131.84 9.6 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.18 2.586 . . . . 0.0 113.232 -178.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.0 t -69.97 107.37 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -56.08 -27.58 54.18 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.605 1.562 . . . . 0.0 114.117 -162.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.01 -19.49 31.94 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.291 0.636 . . . . 0.0 112.021 -170.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.579 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.0 p -132.51 157.46 78.24 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.85 0.86 . . . . 0.0 109.805 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.51 67.53 7.79 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.362 2.041 . . . . 0.0 111.365 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.81 94.7 3.79 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.419 1.088 . . . . 0.0 108.737 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 38.6 m -92.34 111.57 23.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.531 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.03 151.7 21.53 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -89.16 -10.99 45.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.106 0.562 . . . . 0.0 110.33 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.429 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 20.3 m -130.86 145.93 52.14 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.591 0.756 . . . . 0.0 110.578 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.7 p -69.2 -30.68 2.33 Favored Pre-proline 0 CA--C 1.571 1.767 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 75.1 Cg_exo -54.98 -51.83 9.38 Favored 'Trans proline' 0 C--N 1.402 3.374 0 CA-C-N 122.083 1.78 . . . . 0.0 111.993 170.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.89 -31.5 72.29 Favored Glycine 0 C--N 1.359 1.852 0 O-C-N 123.98 0.8 . . . . 0.0 113.509 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -56.75 -57.6 11.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.829 0.852 . . . . 0.0 110.479 172.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -68.02 -30.35 69.57 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.117 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.58 -37.22 79.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.436 0.694 . . . . 0.0 111.073 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.1 t-80 -69.37 -26.45 64.67 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.076 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.41 -64.07 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -55.88 -35.22 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.09 0.956 . . . . 0.0 112.65 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -93.47 -60.57 1.74 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.439 0.696 . . . . 0.0 112.343 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.0 t -118.61 9.05 12.1 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -161.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.579 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -152.18 47.04 0.38 Allowed Pre-proline 0 CA--C 1.561 1.375 0 C-N-CA 123.597 0.759 . . . . 0.0 111.237 174.592 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 58.5 Cg_endo -95.86 164.83 1.36 Allowed 'Trans proline' 0 C--N 1.393 2.912 0 C-N-CA 122.626 2.217 . . . . 0.0 113.082 -177.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t 58.43 54.18 5.76 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.444 1.098 . . . . 0.0 110.582 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.04 -42.12 69.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.1 p-10 -70.55 92.47 0.84 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.86 0.838 . . . . 0.0 110.783 177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 . . . . . 0 C--O 1.251 1.165 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 175.845 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.63 163.52 10.23 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.33 109.04 2.97 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -86.25 -64.01 1.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -109.15 111.43 23.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -150.68 -20.92 0.23 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.9 m80 65.24 172.9 0.21 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.54 1.136 . . . . 0.0 111.66 -171.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -84.96 117.5 23.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -72.55 151.9 42.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.803 0.841 . . . . 0.0 112.37 -174.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -109.25 144.6 37.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.247 1.019 . . . . 0.0 109.283 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.6 mtp -77.26 96.99 4.7 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.25 -32.65 81.46 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 123.497 0.498 . . . . 0.0 112.976 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.8 115.04 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.865 1.666 . . . . 0.0 111.976 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.72 130.84 1.23 Allowed Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.201 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -84.83 106.52 16.42 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.4 69.15 3.39 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.19 0.306 . . . . 0.0 112.432 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.66 76.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.739 0.815 . . . . 0.0 111.326 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.93 56.47 0.02 OUTLIER Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.943 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 170.74 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.591 0.757 . . . . 0.0 110.841 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pp -148.95 167.38 25.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.745 0.818 . . . . 0.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.1 31.56 4.45 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.31 144.23 34.45 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.678 0.791 . . . . 0.0 109.418 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 t 82.43 -51.8 0.2 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 126.016 1.727 . . . . 0.0 111.31 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.53 91.62 6.94 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 m -141.15 150.95 43.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.841 0.856 . . . . 0.0 110.218 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.26 163.05 17.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.383 0.673 . . . . 0.0 110.584 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.22 103.74 2.9 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.427 0.691 . . . . 0.0 110.286 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 18.8 m -111.84 167.29 10.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -71.68 128.51 36.03 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.046 0.45 . . . . 0.0 111.345 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.7 mt -90.23 141.74 28.41 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.958 0.903 . . . . 0.0 110.866 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -65.93 111.87 7.5 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 166.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' HD21 ' A' ' 48' ' ' LEU . 89.4 Cg_endo -72.8 26.3 0.29 Allowed 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 123.067 2.511 . . . . 0.0 114.939 -169.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.12 -16.78 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 C-N-CA 124.138 0.975 . . . . 0.0 110.138 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.715 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 31.1 p -147.12 141.05 25.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.287 0.635 . . . . 0.0 111.131 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.74 109.65 2.9 Favored Glycine 0 C--N 1.357 1.729 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -177.27 108.18 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -162.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 7.4 t -102.49 136.34 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.52 0.728 . . . . 0.0 111.184 -169.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.77 136.46 42.62 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.567 1.147 . . . . 0.0 110.154 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.46 75.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.849 0.86 . . . . 0.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 m -103.29 126.67 50.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -69.97 -16.03 63.13 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.327 0.651 . . . . 0.0 111.841 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -36.72 90.4 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.03 -21.27 60.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.784 0.833 . . . . 0.0 111.085 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.44 -42.19 17.24 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.154 0.982 . . . . 0.0 110.459 177.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -69.63 -33.31 72.45 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.452 1.101 . . . . 0.0 111.056 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 13.4 ptm180 -65.91 -32.79 74.5 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.7 91.97 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.8 mt -68.34 -51.35 45.47 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.728 0.643 . . . . 0.0 112.135 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 40.0 ptt180 -75.06 -20.81 59.36 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.77 -77.7 0.59 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.83 0.452 . . . . 0.0 110.781 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.32 -3.37 55.22 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.715 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -147.47 34.26 0.87 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.653 0.781 . . . . 0.0 111.613 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 73.31 8.17 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.825 0.85 . . . . 0.0 110.204 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.65 -49.54 0.16 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 110.207 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -85.46 -26.6 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.854 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.0 m -88.52 143.26 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 122.61 0.364 . . . . 0.0 110.257 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.0 m-85 -126.5 84.41 62.44 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.326 1.05 . . . . 0.0 109.606 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.4 Cg_endo -73.15 126.66 11.32 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.465 2.11 . . . . 0.0 111.493 177.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 72' ' ' LEU . 36.1 t -52.68 103.1 0.06 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.735 0.814 . . . . 0.0 109.298 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -46.07 -30.76 1.99 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -159.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.52 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 49.9 m-85 -84.23 -36.64 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 0.0 111.595 -177.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.82 139.25 31.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 C-N-CA 122.951 0.5 . . . . 0.0 110.681 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -63.14 6.73 0.2 Allowed 'Trans proline' 0 N--CA 1.511 2.52 0 C-N-CA 123.99 3.127 . . . . 0.0 115.791 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.42 103.81 0.12 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.882 0.873 . . . . 0.0 110.521 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 46.5 m -91.89 117.65 29.99 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 111.184 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -99.78 168.91 9.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.354 1.061 . . . . 0.0 109.997 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -123.28 16.39 9.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.137 0.975 . . . . 0.0 109.998 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 m -147.42 145.32 29.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.916 0.886 . . . . 0.0 109.114 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -63.0 -43.83 83.25 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.859 0.863 . . . . 0.0 112.297 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.14 -25.58 72.88 Favored 'Trans proline' 0 C--N 1.393 2.912 0 CA-C-N 121.106 1.431 . . . . 0.0 112.595 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -43.44 85.26 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.517 0.511 . . . . 0.0 112.237 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 59' ' ' CYS . 45.4 tp -58.7 -50.41 74.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.916 1.286 . . . . 0.0 110.586 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -65.6 -47.2 76.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.504 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -61.73 -30.64 70.91 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.855 -167.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.452 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.9 t-80 -64.74 -40.65 95.68 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 53.9 mt -66.72 -35.95 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 124.2 1.0 . . . . 0.0 110.997 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -84.18 -36.68 22.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.899 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 53.3 tttm -91.85 -58.78 2.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.692 0.797 . . . . 0.0 111.566 -169.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 74.6 m -128.56 24.29 5.81 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.465 0.706 . . . . 0.0 112.436 -168.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.8 t-160 -150.01 52.54 1.08 Allowed Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.785 0.434 . . . . 0.0 110.781 173.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.95 -31.23 12.83 Favored 'Trans proline' 0 C--N 1.392 2.821 0 C-N-CA 121.845 1.697 . . . . 0.0 111.225 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.1 m -83.41 79.37 9.44 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.8 89.12 0.39 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.275 1.03 . . . . 0.0 111.722 -170.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 61' ' ' TYR . 54.5 t30 60.3 97.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.256 1.422 . . . . 0.0 112.213 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 . . . . . 0 C--O 1.248 1.018 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.519 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.28 25.21 71.35 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 123.658 0.599 . . . . 0.0 113.209 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.23 91.05 1.27 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.542 0.737 . . . . 0.0 109.738 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -113.83 172.62 6.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.03 0.932 . . . . 0.0 109.107 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -155.67 135.91 13.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.984 0.514 . . . . 0.0 110.23 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -129.37 75.7 1.67 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 173.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -146.66 60.42 1.21 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.957 0.903 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -150.64 77.6 1.29 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.408 174.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 p -94.02 66.76 3.61 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.976 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -94.69 96.03 9.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.987 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.9 ptm -114.63 178.42 4.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.987 0.915 . . . . 0.0 109.232 173.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.36 117.94 0.8 Allowed Glycine 0 C--N 1.339 0.709 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.8 171.6 14.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 117.22 0.51 . . . . 0.0 110.287 175.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.89 164.21 30.36 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.422 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.68 110.41 4.72 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.52 83.37 0.17 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 123.415 0.447 . . . . 0.0 112.355 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.59 -166.45 1.08 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.944 0.898 . . . . 0.0 110.002 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.5 30.1 2.52 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 122.996 0.331 . . . . 0.0 112.282 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.729 HG11 HG12 ' A' ' 33' ' ' VAL . 32.9 m -93.88 167.89 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.862 0.865 . . . . 0.0 110.688 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -126.71 96.08 4.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.54 0.736 . . . . 0.0 110.638 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.66 86.19 0.46 Allowed Glycine 0 C--N 1.344 0.983 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.76 -29.87 62.46 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.747 0.819 . . . . 0.0 111.522 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 p -150.29 -53.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.366 0.666 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.94 33.86 23.94 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.364 1.066 . . . . 0.0 111.785 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -101.09 13.05 36.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.949 0.9 . . . . 0.0 111.409 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.02 137.99 55.5 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.179 0.591 . . . . 0.0 110.441 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -80.21 74.1 7.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.626 0.727 . . . . 0.0 109.764 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m -162.72 164.07 26.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.402 1.481 . . . . 0.0 108.735 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -73.73 114.86 12.47 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 45.7 mt -97.7 128.48 44.41 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.035 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 1.6 t -54.21 94.89 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.769 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -24.34 -48.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 1 C-N-CA 126.185 4.59 . . . . 0.0 116.805 -155.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.729 HG12 HG11 ' A' ' 19' ' ' VAL . 8.6 t -71.72 -50.13 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.002 -175.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.95 133.86 49.99 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 122.191 -0.318 . . . . 0.0 110.564 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.95 110.38 3.41 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 172.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -154.46 121.71 5.68 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -79.93 113.38 18.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.224 0.61 . . . . 0.0 110.769 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -120.6 125.55 48.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 108.897 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.51 -36.75 52.23 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -86.28 119.23 26.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.51 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.37 -28.34 68.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.248 0.619 . . . . 0.0 111.312 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -37.26 93.64 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-O 120.985 0.214 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -23.51 61.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.413 0.685 . . . . 0.0 111.303 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -70.04 -44.61 68.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.792 0.837 . . . . 0.0 110.471 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.94 -40.59 91.51 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.774 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -68.36 -32.96 73.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.095 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t-80 -66.54 -26.63 67.23 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 120.934 0.397 . . . . 0.0 110.505 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.55 -64.88 0.79 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.193 171.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -59.95 -21.37 61.1 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 123.201 0.6 . . . . 0.0 112.345 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.65 -78.78 0.14 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.696 0.798 . . . . 0.0 111.088 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.05 -45.64 6.18 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.966 0.506 . . . . 0.0 111.83 -172.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -92.92 38.35 1.03 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.108 0.956 . . . . 0.0 111.685 -170.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -89.62 5.38 45.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.24 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.89 -39.44 30.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.43 -38.82 23.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.831 0.453 . . . . 0.0 111.368 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -87.2 151.69 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.345 0.403 . . . . 0.0 110.122 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.28 88.45 45.7 Favored Pre-proline 0 N--CA 1.482 1.17 0 C-N-CA 123.966 0.906 . . . . 0.0 109.84 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 146.22 49.27 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.541 2.161 . . . . 0.0 112.338 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' HD1' ' A' ' 61' ' ' TYR . 44.8 t -68.23 103.42 1.57 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 170.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 14.95 0.82 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -162.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.3 m-85 -114.12 -34.44 5.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.334 1.054 . . . . 0.0 109.065 -172.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -131.98 143.53 49.39 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.502 1.121 . . . . 0.0 108.44 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.58 87.94 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.556 2.17 . . . . 0.0 112.471 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.18 105.32 2.11 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.713 1.205 . . . . 0.0 108.711 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m -91.53 123.86 35.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.288 0.635 . . . . 0.0 110.542 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.62 151.96 24.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -81.15 -21.65 39.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.819 0.448 . . . . 0.0 111.284 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -142.64 159.98 41.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.084 0.554 . . . . 0.0 111.652 -170.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -60.82 -42.17 86.0 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.744 1.218 . . . . 0.0 112.886 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -51.07 -45.82 34.49 Favored 'Trans proline' 0 C--N 1.4 3.248 0 C-N-CA 122.182 1.921 . . . . 0.0 112.778 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.89 94.53 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.427 0.454 . . . . 0.0 112.662 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.37 -52.4 65.51 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.244 1.018 . . . . 0.0 110.176 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m -67.88 -26.93 66.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.93 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -60.73 -41.31 95.08 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 123.242 0.617 . . . . 0.0 111.641 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.76 -46.32 72.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.67 -30.42 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.686 1.194 . . . . 0.0 111.27 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -87.55 -41.82 13.19 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.329 0.652 . . . . 0.0 112.248 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -90.81 -63.09 1.32 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.269 0.628 . . . . 0.0 112.616 -167.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.11 14.36 14.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.912 0.885 . . . . 0.0 110.773 -166.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -152.21 48.0 0.44 Allowed Pre-proline 0 CA--C 1.565 1.52 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.299 175.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -87.1 -4.3 7.85 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 122.399 2.066 . . . . 0.0 113.172 -172.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 m -93.02 4.29 54.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.673 0.789 . . . . 0.0 111.703 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 91.3 mt-10 -57.07 128.7 38.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.893 0.877 . . . . 0.0 111.288 -177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -67.07 153.43 43.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.255 1.022 . . . . 0.0 112.019 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 123.438 0.695 . . . . 0.0 109.761 176.647 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.18 -89.03 0.09 OUTLIER Glycine 0 C--N 1.34 0.775 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 59.83 63.4 1.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.408 1.083 . . . . 0.0 110.724 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.17 135.63 48.38 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.005 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -84.14 84.79 7.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.676 0.79 . . . . 0.0 110.08 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -126.66 111.48 14.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -91.06 48.37 1.51 Allowed 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.012 0.911 . . . . 0.0 110.309 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -174.7 154.68 2.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.303 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -91.96 -172.07 3.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -131.74 81.76 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.772 0.796 . . . . 0.0 109.723 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -68.7 137.6 54.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.576 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.22 10.37 13.29 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.399 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -160.66 -40.0 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.474 0.71 . . . . 0.0 110.229 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.26 -22.3 15.86 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.943 -0.365 . . . . 0.0 113.222 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.27 34.85 20.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.899 1.28 . . . . 0.0 112.879 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.42 75.14 2.25 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.296 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.91 172.05 9.89 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.669 0.787 . . . . 0.0 110.96 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 105.6 0.33 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -83.82 163.28 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.346 0.658 . . . . 0.0 111.114 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.9 155.42 34.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.344 0.658 . . . . 0.0 111.054 -173.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.77 151.35 11.77 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.084 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.58 116.52 28.55 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -74.41 86.46 2.02 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.556 0.693 . . . . 0.0 110.193 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.64 141.29 35.7 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.472 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 29' ' ' HIS . 43.3 p -159.85 59.16 0.37 Allowed 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.917 0.887 . . . . 0.0 109.793 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.2 2.86 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.149 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -88.37 80.58 7.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 37.2 m 65.79 171.02 0.22 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.997 1.319 . . . . 0.0 111.914 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 25' ' ' SER . 65.5 m80 -80.05 118.63 21.94 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.233 0.54 . . . . 0.0 110.768 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 37' ' ' SER . 43.5 mt -90.31 142.22 27.94 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.616 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 t -68.22 104.83 0.76 Allowed Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 163.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD2' HD21 ' A' ' 48' ' ' LEU . 19.6 Cg_endo -54.5 -19.06 16.61 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 C-N-CA 123.674 2.916 . . . . 0.0 115.093 -167.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 52' ' ' HIS . 6.2 t -81.51 -34.78 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 123.514 0.726 . . . . 0.0 111.045 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.67 125.03 21.85 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.652 0.781 . . . . 0.0 109.729 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.81 110.62 2.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -167.66 110.39 0.64 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -170.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . 69.0 m -71.74 141.47 49.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.86 0.864 . . . . 0.0 111.504 -177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -137.83 128.06 26.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.948 0.899 . . . . 0.0 109.599 173.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.55 29.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.273 0.629 . . . . 0.0 110.802 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.4 m -98.8 141.96 30.94 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.576 0.75 . . . . 0.0 110.076 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -62.25 -46.82 87.13 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.09 72.57 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.693 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.45 -30.62 66.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.076 0.55 . . . . 0.0 110.681 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -70.83 -47.77 57.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.083 0.553 . . . . 0.0 109.869 173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.31 -38.38 86.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.916 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -67.4 -36.06 80.53 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.221 0.325 . . . . 0.0 111.143 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.97 -24.78 62.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.3 mt -85.2 -70.56 0.58 Allowed 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.654 0.596 . . . . 0.0 111.373 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.92 -25.3 68.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -169.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.22 -62.75 1.46 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -99.19 -52.08 3.63 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' HB3' HG21 ' A' ' 33' ' ' VAL . 20.5 m170 -107.63 49.65 0.8 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.585 1.154 . . . . 0.0 110.749 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.53 -11.11 59.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 113.992 -1.458 . . . . 0.0 112.646 -174.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.53 95.48 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.078 0.951 . . . . 0.0 112.766 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.34 -12.37 37.91 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.187 0.595 . . . . 0.0 112.522 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG11 HD13 ' A' ' 48' ' ' LEU . 26.8 m -107.32 170.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 122.78 0.432 . . . . 0.0 110.557 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -130.97 85.86 53.72 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 109.37 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 59.1 Cg_endo -71.25 128.57 14.84 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.255 1.97 . . . . 0.0 111.101 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.509 ' HA ' HD12 ' A' ' 72' ' ' LEU . 40.6 t -51.12 103.2 0.05 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -43.56 -36.49 2.11 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -161.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.1 m-85 -88.6 -26.07 22.12 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.07 136.09 28.29 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.27 -176.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.49 95.1 0.12 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.08 2.52 . . . . 0.0 112.678 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.33 109.16 1.49 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.472 1.109 . . . . 0.0 108.787 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -91.2 135.58 33.68 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.39 0.614 . . . . 0.0 112.055 -174.571 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -122.5 125.21 45.31 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.755 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.33 8.53 5.94 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.305 0.574 . . . . 0.0 111.088 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -130.66 147.27 52.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.928 0.891 . . . . 0.0 110.447 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 16.4 m -66.2 -43.93 57.12 Favored Pre-proline 0 CA--C 1.572 1.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.86 -38.44 29.91 Favored 'Trans proline' 0 C--N 1.399 3.199 0 CA-C-N 121.743 1.658 . . . . 0.0 112.988 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.0 86.42 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.317 0.385 . . . . 0.0 113.297 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 59' ' ' CYS . 27.3 tp -50.76 -56.87 10.04 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.002 1.321 . . . . 0.0 111.414 174.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -72.1 -35.52 69.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.026 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -68.95 -20.18 64.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.273 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 28.2 t-80 -66.21 -41.44 90.12 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.386 0.994 . . . . 0.0 109.11 173.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 25.8 mt -67.69 -38.84 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.889 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.68 -34.41 58.22 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.49 -61.94 1.75 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.4 t -140.62 11.05 2.27 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -166.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 5.6 t-160 -115.75 80.87 8.87 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -84.75 -164.66 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.652 2.235 . . . . 0.0 111.537 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m 75.25 -18.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.394 1.477 . . . . 0.0 113.302 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.57 126.6 32.47 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.153 0.981 . . . . 0.0 109.815 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 69.6 114.79 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.011 1.324 . . . . 0.0 112.389 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.57 79.38 0.03 OUTLIER Glycine 0 C--N 1.336 0.555 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.94 -4.59 13.9 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.607 0.763 . . . . 0.0 111.23 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -69.25 108.84 3.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.364 0.666 . . . . 0.0 109.66 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -117.23 105.82 12.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.791 . . . . 0.0 109.083 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -112.92 138.77 49.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.95 0.9 . . . . 0.0 110.933 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -103.51 179.14 4.36 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.908 0.883 . . . . 0.0 109.493 174.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -149.58 128.05 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.22 0.608 . . . . 0.0 109.875 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 m -125.7 137.55 53.84 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.474 1.11 . . . . 0.0 110.115 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -158.31 98.95 1.6 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -155.19 112.63 3.35 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.56 0.744 . . . . 0.0 109.29 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.54 86.97 0.08 OUTLIER Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.63 142.57 19.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.423 0.689 . . . . 0.0 109.77 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.0 80.76 0.03 OUTLIER Glycine 0 C--N 1.348 1.217 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 177.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -110.09 155.17 22.24 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.584 0.753 . . . . 0.0 110.185 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.28 143.36 17.94 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.39 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.14 110.26 10.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.84 0.856 . . . . 0.0 108.979 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.6 34.85 1.77 Allowed Glycine 0 C--N 1.351 1.411 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m -93.87 170.96 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.015 0.926 . . . . 0.0 111.334 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.55 172.0 8.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.438 1.095 . . . . 0.0 110.393 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.17 49.53 0.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.193 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -88.12 108.91 19.5 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -91.72 75.39 5.76 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.526 0.679 . . . . 0.0 110.323 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.63 132.77 37.2 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.234 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.0 t -163.6 164.55 24.08 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.674 0.79 . . . . 0.0 109.702 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.99 -66.17 0.1 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 0.0 110.529 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -96.5 67.84 2.47 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.888 0.875 . . . . 0.0 109.804 -174.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 37' ' ' SER . 19.7 m -172.68 136.29 0.72 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.016 1.327 . . . . 0.0 109.777 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -80.34 115.17 19.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 168.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.37 135.72 37.84 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.154 0.581 . . . . 0.0 109.995 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 14.1 t -57.09 106.68 0.72 Allowed Pre-proline 0 N--CA 1.485 1.28 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.3 Cg_exo -36.01 -42.25 0.57 Allowed 'Trans proline' 0 C--N 1.382 2.311 1 C-N-CA 125.345 4.03 . . . . 0.0 116.633 -161.004 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.607 HG11 ' HG3' ' A' ' 55' ' ' GLN . 15.9 t -85.68 -31.2 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 C-N-CA 123.193 0.597 . . . . 0.0 112.129 -171.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.648 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.3 p -121.52 134.2 55.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.859 -0.526 . . . . 0.0 110.996 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.36 110.07 3.02 Favored Glycine 0 C--N 1.349 1.277 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 171.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -168.14 111.06 0.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -170.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.494 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 39.2 m -83.47 133.56 34.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 -167.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.48 143.77 43.99 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.076 1.35 . . . . 0.0 108.216 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.88 -48.23 13.82 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.174 0.512 . . . . 0.0 109.658 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 m -81.83 136.55 35.38 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.135 0.974 . . . . 0.0 110.512 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -75.72 -22.92 56.12 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.201 0.6 . . . . 0.0 110.883 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.98 -33.8 85.0 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.22 59.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.55 0.74 . . . . 0.0 110.66 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.04 -52.78 63.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.338 0.655 . . . . 0.0 110.586 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -15.78 59.03 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.724 -176.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.31 85.45 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 122.422 0.289 . . . . 0.0 110.545 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.6 t-80 -71.06 -22.61 62.1 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 117.537 0.153 . . . . 0.0 110.832 -177.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HB3' HG21 ' A' ' 56' ' ' VAL . 93.7 mt -67.51 -66.26 0.58 Allowed 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.847 0.717 . . . . 0.0 109.676 175.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -29.52 60.74 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.04 -67.96 0.68 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.606 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.53 -34.93 5.4 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -168.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.648 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -98.4 23.73 8.13 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.581 0.752 . . . . 0.0 111.721 -175.344 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.86 -9.47 59.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.458 1.103 . . . . 0.0 111.195 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.82 -24.88 64.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.571 0.748 . . . . 0.0 110.544 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.607 ' HG3' HG11 ' A' ' 33' ' ' VAL . 15.3 mm-40 -98.12 -45.81 6.09 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.762 0.825 . . . . 0.0 111.052 -177.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 48' ' ' LEU . 33.5 m -90.33 152.18 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.502 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.7 m-85 -125.91 85.93 58.53 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.91 0.884 . . . . 0.0 110.681 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 72.3 Cg_endo -74.93 130.09 13.02 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.77 2.314 . . . . 0.0 112.335 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 7.1 t -68.89 101.66 1.41 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -59.38 -20.46 54.96 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 125.1 1.36 . . . . 0.0 114.269 -160.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.37 -22.18 52.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.217 1.007 . . . . 0.0 110.788 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.483 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.5 p -132.53 161.14 65.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.689 1.196 . . . . 0.0 109.724 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.6 21.06 0.58 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.342 2.028 . . . . 0.0 114.417 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.2 101.28 9.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.921 0.888 . . . . 0.0 109.815 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 83.7 m -91.91 114.94 27.62 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.982 178.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.35 156.6 17.64 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -98.56 -7.41 28.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.322 0.649 . . . . 0.0 109.989 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 18.9 m -128.93 145.24 51.28 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.89 0.876 . . . . 0.0 110.973 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -66.04 -33.96 7.9 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.573 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 74.5 Cg_exo -55.78 -45.95 35.24 Favored 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 121.964 1.776 . . . . 0.0 112.237 169.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.441 ' HA2' ' HD3' ' A' ' 74' ' ' ARG . . . -60.05 -38.99 95.12 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 124.186 0.929 . . . . 0.0 112.832 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 57' ' ' PHE . 41.9 tp -54.35 -55.63 26.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.482 1.113 . . . . 0.0 110.377 171.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -61.25 -36.23 79.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.46 1.104 . . . . 0.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 64.7 mtp85 -59.64 -37.37 78.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.877 0.871 . . . . 0.0 111.646 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -73.5 -46.3 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.217 0.323 . . . . 0.0 110.249 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.47 -23.35 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 123.633 0.583 . . . . 0.0 111.343 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -84.59 -58.57 2.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.496 0.718 . . . . 0.0 110.967 176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -91.33 -63.2 1.29 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.611 0.596 . . . . 0.0 112.611 -167.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.1 m -96.7 -0.67 47.97 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -166.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.483 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.4 m170 -155.41 60.15 2.45 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.688 1.195 . . . . 0.0 110.174 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -74.29 -176.38 2.68 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 123.211 2.608 . . . . 0.0 112.913 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 t 61.86 -137.96 0.5 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.73 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 59.43 64.54 1.32 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.07 0.948 . . . . 0.0 110.327 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -96.7 142.63 28.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.03 -166.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.672 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.6 mtm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.18 -149.62 20.34 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.533 0.52 . . . . 0.0 112.103 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -159.23 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 109.838 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -163.65 160.38 22.73 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.59 0.756 . . . . 0.0 111.88 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -141.92 140.59 32.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.612 1.165 . . . . 0.0 109.107 172.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -125.57 117.05 22.74 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.055 0.942 . . . . 0.0 109.358 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -162.43 77.72 0.48 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.832 0.825 . . . . 0.0 109.997 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -130.27 129.96 43.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.888 0.875 . . . . 0.0 109.268 173.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -148.92 145.69 27.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.282 1.033 . . . . 0.0 109.37 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -83.33 132.88 34.99 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -25.57 19.03 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.005 0.522 . . . . 0.0 109.863 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.77 -164.36 41.07 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.614 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.1 126.33 4.23 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.826 0.85 . . . . 0.0 108.914 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.99 126.67 23.83 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.785 0.678 . . . . 0.0 111.978 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -86.01 150.14 24.68 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.312 0.645 . . . . 0.0 111.24 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 138.72 21.62 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.815 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 -55.59 0.46 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.585 0.754 . . . . 0.0 110.357 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 103.96 2.71 Favored Glycine 0 N--CA 1.47 0.903 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -173.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -107.53 171.72 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.176 0.59 . . . . 0.0 111.571 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 pp -144.09 168.61 19.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.45 61.21 0.33 Allowed Glycine 0 C--N 1.343 0.925 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.28 -34.94 77.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.704 0.802 . . . . 0.0 109.661 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -67.62 101.26 0.99 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.794 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.77 179.42 9.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.991 0.916 . . . . 0.0 110.344 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.3 m 64.71 20.43 12.13 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.662 1.185 . . . . 0.0 112.482 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -130.0 134.64 47.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.694 0.797 . . . . 0.0 109.443 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.19 88.91 0.44 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.096 0.959 . . . . 0.0 109.211 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.652 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 57.8 m -142.31 178.94 7.23 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 124.232 1.013 . . . . 0.0 109.186 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.08 111.69 7.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.76 137.23 33.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.902 0.481 . . . . 0.0 110.144 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.3 t -75.48 99.93 0.35 Allowed Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 164.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.1 Cg_endo -48.19 -29.1 12.04 Favored 'Trans proline' 0 C--N 1.381 2.263 0 C-N-CA 123.978 3.118 . . . . 0.0 115.661 -165.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.98 -18.58 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.552 0 C-N-CA 123.552 0.741 . . . . 0.0 112.116 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.659 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 30.8 p -141.14 132.22 26.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.98 109.85 2.82 Favored Glycine 0 C--N 1.356 1.646 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -175.75 101.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -159.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 60.0 p -93.24 130.57 38.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 0.0 111.544 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.13 145.01 47.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.849 1.259 . . . . 0.0 110.009 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 -33.61 70.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.813 0.445 . . . . 0.0 111.4 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -116.24 152.72 33.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.079 0.552 . . . . 0.0 111.176 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -71.92 -21.99 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.769 0.828 . . . . 0.0 111.487 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.71 -39.71 47.7 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.67 0.606 . . . . 0.0 112.379 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.61 67.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.598 0.359 . . . . 0.0 110.445 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.64 -59.66 3.71 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.716 0.807 . . . . 0.0 111.678 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -71.84 -19.45 61.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.977 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -29.43 62.09 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.189 0.305 . . . . 0.0 111.146 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t-80 -68.9 -40.81 78.94 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 56' ' ' VAL . 95.7 mt -64.66 -33.85 76.92 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.555 175.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -75.52 -40.47 56.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.574 0.75 . . . . 0.0 111.152 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.7 mt -105.64 -68.58 0.86 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.543 0.737 . . . . 0.0 111.459 -168.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.44 -4.67 57.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.404 0.682 . . . . 0.0 112.419 -169.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.659 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 1.7 m170 -139.57 37.69 2.03 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.438 1.095 . . . . 0.0 109.269 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -23.51 65.97 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.186 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.14 -5.39 31.34 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.762 0.825 . . . . 0.0 112.994 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -117.41 8.12 12.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.786 0.834 . . . . 0.0 111.872 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.2 m -129.01 158.52 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.743 0.782 . . . . 0.0 111.66 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.587 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.9 m-85 -131.41 88.77 42.8 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 125.22 1.408 . . . . 0.0 108.734 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.37 139.91 23.88 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.989 2.46 . . . . 0.0 112.632 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 34.8 t -68.41 104.59 1.93 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.233 0.613 . . . . 0.0 109.389 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -38.58 -48.45 1.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.784 2.034 . . . . 0.0 116.445 -161.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -73.65 -39.93 64.11 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -171.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 30.9 p -107.7 152.19 41.41 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 122.994 0.518 . . . . 0.0 111.115 -172.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.3 80.01 1.07 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.271 1.98 . . . . 0.0 110.698 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 93.19 2.54 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.45 1.1 . . . . 0.0 108.2 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -92.65 115.79 28.42 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.219 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.43 136.71 40.82 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.766 0.826 . . . . 0.0 109.081 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HA ' HG12 ' A' ' 56' ' ' VAL . 57.8 t80 -77.69 -10.8 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.589 0.356 . . . . 0.0 110.892 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.3 m -125.75 144.86 50.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.375 0.67 . . . . 0.0 110.712 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 11.3 t -67.21 -39.37 20.62 Favored Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 124.371 1.068 . . . . 0.0 112.208 177.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 Cg_endo -61.27 -26.8 82.46 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.642 1.561 . . . . 0.0 112.693 169.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.28 -38.46 62.84 Favored Glycine 0 C--N 1.355 1.584 0 O-C-N 123.78 0.675 . . . . 0.0 112.411 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 57' ' ' PHE . 25.2 tp -54.23 -49.32 69.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.14 0.976 . . . . 0.0 110.305 170.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 m -61.22 -26.93 68.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.855 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 70' ' ' PRO . 3.7 mmp_? -65.16 -50.67 65.08 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.733 0.413 . . . . 0.0 112.089 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.5 t-80 -76.71 -19.5 57.62 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.802 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mt -75.31 -66.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -54.18 -34.18 59.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.874 0.87 . . . . 0.0 112.807 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -90.52 -60.07 2.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 122.847 0.459 . . . . 0.0 111.649 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -114.57 -7.97 12.76 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -160.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.471 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.5 m80 -141.23 49.45 1.54 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 123.537 0.735 . . . . 0.0 111.091 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.06 -36.34 0.12 Allowed 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 122.24 1.96 . . . . 0.0 113.61 -172.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.8 p -75.64 81.25 2.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.826 0.85 . . . . 0.0 109.735 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.05 14.74 13.18 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.694 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.83 152.64 43.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.058 0.943 . . . . 0.0 110.502 171.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 . . . . . 0 C--O 1.251 1.17 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.743 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.18 42.92 49.2 Favored Glycine 0 C--N 1.349 1.266 0 O-C-N 123.587 0.554 . . . . 0.0 113.109 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.27 86.78 1.96 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 121.811 0.815 . . . . 0.0 111.275 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -134.71 168.52 18.87 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.827 1.251 . . . . 0.0 108.649 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.515 ' HB2' ' HA3' ' A' ' 14' ' ' GLY . 27.3 p80 -77.11 -24.49 51.74 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.121 0.169 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 65.64 159.39 0.12 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.982 1.713 . . . . 0.0 112.748 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -81.04 160.44 24.53 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.78 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 67.2 114.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 124.828 1.33 . . . . 0.0 110.325 -174.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 m -61.89 102.33 0.27 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 110.949 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -67.32 -47.22 71.17 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.357 0.663 . . . . 0.0 109.48 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 73.2 mtm -132.04 -43.48 0.97 Allowed 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.74 -176.65 14.48 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.983 168.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -70.23 -34.17 72.54 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 117.211 0.505 . . . . 0.0 110.533 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HB2' ' A' ' 5' ' ' HIS . . . 102.99 37.92 3.03 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 123.974 0.796 . . . . 0.0 111.785 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.7 -165.51 2.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.975 0.91 . . . . 0.0 109.625 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.95 92.68 0.09 OUTLIER Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 98.82 0.36 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 171.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.04 68.89 3.01 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.387 -172.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.16 160.75 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.07 0.948 . . . . 0.0 109.311 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 pp -92.0 176.94 6.32 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.867 0.365 . . . . 0.0 110.756 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.61 102.75 2.25 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' H ' HD23 ' A' ' 22' ' ' LEU . 2.5 pt? -66.94 -17.64 65.01 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.364 0.665 . . . . 0.0 111.398 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -66.87 -18.35 65.34 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.984 0.913 . . . . 0.0 111.369 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.05 -69.08 0.2 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 125.98 1.712 . . . . 0.0 110.227 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.0 p -124.84 111.7 15.81 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.206 1.002 . . . . 0.0 109.139 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.85 135.68 37.1 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.095 0.558 . . . . 0.0 109.928 176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -93.56 171.48 8.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.041 0.937 . . . . 0.0 109.547 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.3 m 72.12 172.65 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.231 1.413 . . . . 0.0 111.676 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.99 119.0 24.4 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.08 150.88 22.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.513 0.325 . . . . 0.0 110.732 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HA ' ' HG3' ' A' ' 44' ' ' GLN . 10.9 t -64.17 109.73 3.07 Favored Pre-proline 0 N--CA 1.481 1.088 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 165.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HD2' HD21 ' A' ' 48' ' ' LEU . 63.6 Cg_exo -44.13 -22.08 0.47 Allowed 'Trans proline' 0 N--CA 1.512 2.602 0 C-N-CA 125.097 3.865 . . . . 0.0 117.488 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -93.06 -32.33 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.843 0.457 . . . . 0.0 111.31 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.8 p -131.25 131.44 43.91 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.054 0.541 . . . . 0.0 110.978 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.34 110.11 2.72 Favored Glycine 0 C--N 1.358 1.756 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 172.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -165.83 101.5 0.67 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -163.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 p -75.26 116.71 16.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.87 0.868 . . . . 0.0 112.434 -166.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -123.41 133.76 54.05 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.158 0.983 . . . . 0.0 109.973 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.58 -40.85 80.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.758 0.823 . . . . 0.0 111.186 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -120.78 163.23 18.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.397 0.679 . . . . 0.0 110.984 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -71.78 -38.29 70.33 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.608 -170.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.52 -28.92 72.07 Favored Glycine 0 N--CA 1.475 1.298 0 O-C-N 123.293 0.37 . . . . 0.0 113.511 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.588 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . . . -74.99 -33.14 61.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.437 0.695 . . . . 0.0 111.086 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 31' ' ' CYS . 13.8 tt0 -63.87 -51.52 64.22 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.288 0.635 . . . . 0.0 110.508 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.3 -35.68 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.28 -173.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 43' ' ' ALA . 9.6 ptp180 -69.64 -39.7 76.95 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.59 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -66.54 -26.93 67.38 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 118.72 0.691 . . . . 0.0 110.451 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD21 ' HD2' ' A' ' 32' ' ' PRO . 95.9 mt -72.0 -67.28 0.55 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.791 0.682 . . . . 0.0 110.416 175.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -68.29 -19.67 64.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.02 -63.21 1.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.764 0.425 . . . . 0.0 110.887 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.6 mt -105.56 -52.36 2.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.387 0.675 . . . . 0.0 112.183 -169.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.591 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 9.5 m170 -91.13 38.48 0.96 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.406 1.083 . . . . 0.0 111.484 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -80.19 -4.17 51.97 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.202 1.401 . . . . 0.0 111.742 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.76 81.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.17 0.988 . . . . 0.0 111.335 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -104.14 -3.11 24.87 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.178 0.591 . . . . 0.0 112.324 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 53' ' ' ALA . 34.2 m -126.93 142.24 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 72' ' ' LEU . 69.0 m-85 -133.1 87.16 40.22 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.649 1.18 . . . . 0.0 109.361 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 91.5 Cg_endo -78.4 128.58 8.91 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 122.646 2.231 . . . . 0.0 113.13 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 2.1 t -64.34 102.52 0.54 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 171.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.85 -30.39 63.78 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.505 1.522 . . . . 0.0 114.987 -155.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -80.1 -7.21 58.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.156 0.582 . . . . 0.0 111.574 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 28.7 p -135.89 154.33 77.71 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.305 1.042 . . . . 0.0 110.778 171.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 77.06 2.53 Favored 'Trans proline' 0 CA--C 1.56 1.809 0 C-N-CA 122.072 1.848 . . . . 0.0 111.117 163.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -141.43 102.66 4.25 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.335 1.054 . . . . 0.0 108.325 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 31.8 m -96.89 132.0 43.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.888 0.875 . . . . 0.0 110.972 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.15 130.44 52.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.878 0.871 . . . . 0.0 110.073 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -83.4 20.03 1.42 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.541 0.736 . . . . 0.0 111.183 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 70' ' ' PRO . 52.2 p -151.61 143.6 23.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.118 0.967 . . . . 0.0 109.017 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 p -66.74 -31.88 4.53 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 117.817 -1.087 . . . . 0.0 113.213 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 68' ' ' SER . 88.9 Cg_exo -52.44 -49.16 18.4 Favored 'Trans proline' 0 C--N 1.407 3.616 0 C-N-CA 122.163 1.908 . . . . 0.0 112.775 167.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.35 97.9 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 123.394 0.434 . . . . 0.0 112.737 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -54.29 -57.93 9.33 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.588 1.155 . . . . 0.0 110.95 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -73.1 -25.81 61.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.474 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.68 -38.0 80.01 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.846 0.293 . . . . 0.0 111.186 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.4 t-80 -75.48 -17.86 60.01 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.662 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.0 mt -80.7 -65.97 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.92 -36.35 48.72 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.452 1.101 . . . . 0.0 113.199 -176.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -92.67 -59.75 1.99 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.057 0.543 . . . . 0.0 111.561 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.6 m -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -162.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 62' ' ' CYS . 14.4 m80 -140.55 52.25 3.16 Favored Pre-proline 0 N--CA 1.495 1.816 0 C-N-CA 123.54 0.736 . . . . 0.0 112.291 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 36.4 Cg_endo -100.15 1.22 0.8 Allowed 'Trans proline' 0 C--N 1.392 2.835 0 C-N-CA 123.316 2.677 . . . . 0.0 113.979 -177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.473 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 19.9 m -88.63 32.96 0.77 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.587 0.755 . . . . 0.0 110.466 -175.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -121.26 154.83 35.83 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.697 1.599 . . . . 0.0 109.027 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 65.28 24.8 12.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.34 1.056 . . . . 0.0 111.492 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 82' ' ' SER . 13.6 ptm180 . . . . . 0 CA--C 1.559 1.318 0 C-N-CA 124.153 0.981 . . . . 0.0 109.559 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.45 72.33 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.68 0.613 . . . . 0.0 112.866 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.87 105.15 8.44 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.363 0.665 . . . . 0.0 110.556 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -144.9 50.72 1.25 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.073 1.349 . . . . 0.0 108.037 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -72.39 95.31 1.73 Allowed 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 122.011 0.91 . . . . 0.0 110.752 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -128.55 63.27 1.45 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -80.89 147.99 30.1 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.648 -173.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -74.54 87.25 2.11 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.12 0.568 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m 63.61 178.19 0.16 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.14 1.376 . . . . 0.0 113.081 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -142.39 85.51 1.91 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -120.86 19.46 11.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.903 0.881 . . . . 0.0 110.856 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.41 91.55 1.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -157.69 -44.07 0.06 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.567 0.747 . . . . 0.0 110.491 -173.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.58 7.26 3.12 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.258 -0.746 . . . . 0.0 113.963 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.68 123.36 19.88 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.29 -25.19 21.64 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.461 -0.336 . . . . 0.0 112.929 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.54 -171.78 3.71 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.108 0.963 . . . . 0.0 110.104 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.76 -136.28 8.21 Favored Glycine 0 C--N 1.346 1.12 0 C-N-CA 123.196 0.427 . . . . 0.0 112.185 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.78 166.43 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.195 0.998 . . . . 0.0 110.286 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pp -134.41 172.42 12.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.731 0.813 . . . . 0.0 111.25 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.48 -178.36 35.35 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.566 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.87 85.2 2.82 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.7 t -153.37 108.44 3.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.267 0.627 . . . . 0.0 110.066 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.35 88.61 1.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 p -70.98 -67.56 0.5 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.244 0.618 . . . . 0.0 110.668 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.0 -63.03 1.51 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.994 0.918 . . . . 0.0 108.89 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.1 tm-20 58.29 91.85 0.04 OUTLIER 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.034 1.334 . . . . 0.0 109.797 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -132.24 -46.01 0.92 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.356 0.663 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.6 m80 -139.25 117.0 11.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.567 1.147 . . . . 0.0 108.273 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.579 HD21 ' HG2' ' A' ' 27' ' ' GLU . 38.7 mt -106.85 139.43 41.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.251 0.62 . . . . 0.0 110.207 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 40.7 t -63.27 105.48 0.67 Allowed Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' A' ' 48' ' ' LEU . 92.5 Cg_exo -48.04 -29.86 12.99 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.229 3.286 . . . . 0.0 116.067 -169.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' A' ' 55' ' ' GLN . 10.3 t -86.24 -17.15 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 C-N-CA 122.926 0.491 . . . . 0.0 112.311 -172.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.613 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.6 p -145.52 135.77 23.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.814 -0.554 . . . . 0.0 111.083 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.97 110.92 3.77 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 173.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -162.65 108.61 1.2 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -171.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -74.73 114.02 12.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.976 0.51 . . . . 0.0 111.108 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 29' ' ' HIS . 69.5 m-85 -115.08 142.37 46.74 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.23 28.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.631 0.772 . . . . 0.0 109.8 172.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -97.91 150.65 21.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 0.0 111.535 -176.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.73 -34.04 66.81 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.185 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.11 97.53 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.3 71.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 111.134 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.69 -50.61 71.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.879 0.872 . . . . 0.0 111.161 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.44 -35.61 73.47 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.973 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -69.29 -24.77 64.0 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.309 0.38 . . . . 0.0 111.608 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.1 t-80 -69.95 -41.15 74.93 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HB3' HG11 ' A' ' 56' ' ' VAL . 91.3 mt -69.81 -31.1 68.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.046 0.939 . . . . 0.0 111.559 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -82.51 -37.79 24.74 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 110.605 -174.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -100.97 -72.15 0.69 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.116 0.567 . . . . 0.0 110.367 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.44 -12.42 46.19 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -163.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -134.09 32.06 3.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.364 1.066 . . . . 0.0 109.846 -176.637 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -75.02 -26.4 59.48 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.233 1.013 . . . . 0.0 112.559 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.15 72.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 0.0 111.0 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' A' ' 33' ' ' VAL . 14.4 mm100 -82.15 -26.98 32.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.72 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 48' ' ' LEU . 20.2 m -93.61 153.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.492 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.07 84.14 49.46 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.424 1.09 . . . . 0.0 110.026 -175.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 61.4 Cg_endo -75.81 123.07 7.18 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.51 2.14 . . . . 0.0 111.598 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 12.8 t -58.78 102.99 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.005 . . . . 0.0 110.225 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -17.05 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 127.808 2.443 . . . . 0.0 116.311 -164.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.491 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 3.7 m-85 -83.03 -17.54 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.94 -161.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -130.65 144.68 54.39 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 123.262 0.625 . . . . 0.0 110.05 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.85 82.6 1.22 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.429 2.086 . . . . 0.0 111.714 173.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.98 99.2 3.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.489 1.116 . . . . 0.0 108.22 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 64.1 m -92.77 137.12 32.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.462 0.705 . . . . 0.0 111.126 -173.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.39 144.0 50.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.394 1.477 . . . . 0.0 108.814 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -96.15 10.03 39.0 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.885 0.474 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.3 m -131.18 140.65 49.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.587 0.755 . . . . 0.0 109.91 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -65.46 -41.64 51.72 Favored Pre-proline 0 CA--C 1.567 1.607 0 C-N-CA 124.237 1.015 . . . . 0.0 112.719 -177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 28.0 Cg_exo -64.53 -42.51 16.24 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 121.855 1.704 . . . . 0.0 111.389 171.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.21 -34.24 53.13 Favored Glycine 0 C--N 1.363 2.055 0 O-C-N 124.39 1.056 . . . . 0.0 113.43 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.39 -53.0 50.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.772 1.229 . . . . 0.0 111.521 173.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.7 m -79.28 -24.13 43.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.302 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.6 mtt-85 -57.61 -30.1 65.05 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.949 0.499 . . . . 0.0 111.407 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.1 t-80 -67.68 -44.47 77.71 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 45.5 mt -67.15 -24.16 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.232 1.013 . . . . 0.0 110.941 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -84.45 -43.03 15.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.331 0.653 . . . . 0.0 110.619 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 87.7 tttt -93.07 -63.55 1.2 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -167.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.502 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 77.0 m -119.81 24.31 10.63 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.823 0.849 . . . . 0.0 111.702 -169.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.714 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.0 t-160 -153.6 41.59 0.19 Allowed Pre-proline 0 CA--C 1.563 1.476 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 24.7 Cg_endo -86.43 -5.98 8.16 Favored 'Trans proline' 0 C--N 1.39 2.759 0 C-N-CA 122.716 2.277 . . . . 0.0 115.176 -160.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.9 p -65.51 -77.18 0.07 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.612 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 32.03 -82.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 126.9 2.08 . . . . 0.0 115.117 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 60.64 68.65 0.74 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.246 1.418 . . . . 0.0 109.281 -172.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.174 -177.925 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.36 128.41 2.74 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -126.89 102.75 7.15 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -102.0 178.91 4.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 110.874 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -148.95 164.58 34.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.803 1.241 . . . . 0.0 109.496 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -154.65 159.69 40.95 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -97.86 119.28 36.18 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.018 0.372 . . . . 0.0 111.116 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -135.28 155.26 50.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.506 1.522 . . . . 0.0 108.298 167.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -163.02 146.18 10.72 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.583 0.753 . . . . 0.0 110.01 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -92.24 149.77 21.27 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.349 0.66 . . . . 0.0 110.517 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -157.2 168.12 28.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 0.0 110.197 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.41 -171.78 44.86 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.715 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -132.67 134.59 45.02 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.57 149.56 20.65 Favored Glycine 0 C--N 1.345 1.029 0 O-C-N 123.723 0.64 . . . . 0.0 112.909 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -112.25 161.38 16.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.003 0.921 . . . . 0.0 109.747 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.2 90.05 0.09 OUTLIER Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 130.73 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.752 0.821 . . . . 0.0 108.935 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.43 126.49 1.13 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.96 -173.13 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.342 0.657 . . . . 0.0 111.564 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -121.53 166.64 13.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.053 0.941 . . . . 0.0 109.031 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.19 46.1 0.02 OUTLIER Glycine 0 C--N 1.344 0.978 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.96 141.35 32.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.249 0.62 . . . . 0.0 111.162 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.9 m -142.57 169.18 18.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.633 1.173 . . . . 0.0 109.283 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 61.65 23.7 13.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.929 0.892 . . . . 0.0 111.775 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -83.34 -20.59 34.04 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.248 1.019 . . . . 0.0 111.847 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 72.78 129.29 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.419 1.488 . . . . 0.0 113.443 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.07 121.55 28.84 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.577 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 49.6 t -166.92 -43.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.386 0.612 . . . . 0.0 109.506 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -136.63 118.35 15.04 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.706 1.202 . . . . 0.0 108.511 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' SER . 50.0 mt -117.66 127.49 54.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.772 0.829 . . . . 0.0 109.47 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.83 108.66 1.97 Allowed Pre-proline 0 N--CA 1.484 1.227 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.7 Cg_endo -61.61 -1.04 1.76 Allowed 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 123.594 2.863 . . . . 0.0 116.071 -165.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.92 -16.13 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 C-N-CA 123.479 0.712 . . . . 0.0 111.537 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.581 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 17.5 p -154.77 163.67 39.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.007 0.523 . . . . 0.0 111.368 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.03 107.97 2.35 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.0 81.43 1.43 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.935 1.294 . . . . 0.0 108.371 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.422 ' HA ' HD23 ' A' ' 30' ' ' LEU . 13.3 p -80.44 116.54 20.55 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.172 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.49 143.12 43.63 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.797 0.839 . . . . 0.0 109.804 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . . . -74.97 -31.87 61.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.345 0.658 . . . . 0.0 110.092 171.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 m -90.13 145.14 25.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.899 0.879 . . . . 0.0 111.893 -177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -72.1 -48.59 42.76 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.547 0.739 . . . . 0.0 110.859 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.77 92.0 Favored Glycine 0 C--N 1.347 1.188 0 O-C-N 123.656 0.598 . . . . 0.0 112.997 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -17.67 63.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.808 0.843 . . . . 0.0 111.84 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.89 -55.1 4.25 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.627 0.771 . . . . 0.0 109.061 172.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.64 -28.17 68.35 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.267 1.027 . . . . 0.0 112.608 -171.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 5.2 ptp180 -60.3 -39.5 87.17 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.95 -32.78 74.66 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 117.803 0.274 . . . . 0.0 110.268 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.9 mt -71.97 -42.97 65.89 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 123.971 0.795 . . . . 0.0 112.023 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -79.34 -25.65 42.26 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 118.374 0.534 . . . . 0.0 111.78 -176.288 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.73 -75.46 0.48 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.705 0.402 . . . . 0.0 111.235 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -96.62 -24.77 15.85 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -166.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.581 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 3.3 m170 -114.98 38.88 3.03 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.762 0.825 . . . . 0.0 110.457 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -82.47 -2.99 55.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.385 -1.28 . . . . 0.0 113.124 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.61 -27.34 51.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.101 0.561 . . . . 0.0 111.001 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.0 -32.88 15.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.721 0.808 . . . . 0.0 111.679 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 35.8 m -92.61 158.61 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 171.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' A' ' 72' ' ' LEU . 92.6 m-85 -131.99 89.92 36.98 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.118 0.967 . . . . 0.0 109.266 -173.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.13 121.52 8.34 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.992 2.462 . . . . 0.0 112.886 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.14 120.51 9.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.69 0.796 . . . . 0.0 109.165 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.48 -17.6 62.9 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -160.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -102.69 -24.67 13.73 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -132.93 135.04 25.24 Favored Pre-proline 0 N--CA 1.495 1.795 0 CA-C-O 118.526 -0.749 . . . . 0.0 111.1 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -60.85 93.76 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.003 2.469 . . . . 0.0 111.5 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.05 105.15 1.74 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.521 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.441 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 17.1 p -93.07 125.18 37.54 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 122.828 0.451 . . . . 0.0 111.319 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -110.39 125.42 53.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.51 1.124 . . . . 0.0 108.612 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.43 -1.26 20.34 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.625 0.37 . . . . 0.0 111.499 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.5 m -130.8 136.1 48.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.972 0.909 . . . . 0.0 109.719 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -67.59 -30.87 3.15 Favored Pre-proline 0 CA--C 1.565 1.545 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 51.4 Cg_exo -57.12 -37.88 97.03 Favored 'Trans proline' 0 C--N 1.402 3.367 0 CA-C-N 122.24 1.836 . . . . 0.0 112.088 170.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.34 -37.03 70.45 Favored Glycine 0 C--N 1.357 1.699 0 O-C-N 123.8 0.687 . . . . 0.0 113.071 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' PHE . 23.1 tp -52.04 -56.81 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.183 0.993 . . . . 0.0 110.635 171.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -68.42 -35.23 77.34 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.029 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 1.4 ttm180 -62.58 -30.18 71.14 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.919 0.888 . . . . 0.0 111.71 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' HE2' ' HG ' ' A' ' 79' ' ' CYS . 1.6 t-80 -65.84 -52.48 50.1 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.55 -22.85 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.255 1.022 . . . . 0.0 111.429 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.53 -56.82 3.42 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.577 0.751 . . . . 0.0 111.506 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -94.02 -61.85 1.46 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.469 0.708 . . . . 0.0 111.478 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.42 ' HG ' ' HE2' ' A' ' 75' ' ' HIS . 49.8 t -95.46 11.29 33.43 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.928 0.891 . . . . 0.0 112.445 -164.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.56 53.03 0.39 Allowed Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -78.34 -1.82 11.94 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 123.468 2.779 . . . . 0.0 116.497 -153.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -142.11 -76.57 0.27 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 118.825 0.739 . . . . 0.0 111.024 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 58.18 36.94 26.2 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.333 1.053 . . . . 0.0 111.284 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -104.39 9.74 35.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.897 0.879 . . . . 0.0 111.143 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 . . . . . 0 CA--C 1.553 1.079 0 C-N-CA 123.423 0.689 . . . . 0.0 109.476 -177.067 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.455 0.169 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.17 86.56 0.58 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.279 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -102.69 111.06 23.21 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.015 0.926 . . . . 0.0 109.881 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -117.49 -20.06 9.21 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.707 0.803 . . . . 0.0 110.221 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -131.27 98.33 4.52 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.95 0.9 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -155.98 92.5 1.36 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m170 65.11 113.17 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.714 1.206 . . . . 0.0 111.081 -169.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -57.43 107.56 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.809 0.844 . . . . 0.0 109.229 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m 62.28 97.55 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.706 1.202 . . . . 0.0 110.073 -172.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -53.96 98.08 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.269 1.028 . . . . 0.0 111.959 -175.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.8 mtp -138.12 -44.56 0.51 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.393 1.077 . . . . 0.0 109.546 173.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . 69.29 47.79 49.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.425 -175.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.82 96.28 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.351 0.66 . . . . 0.0 109.789 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.98 -27.04 1.89 Allowed Glycine 0 CA--C 1.529 0.969 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.826 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 12' ' ' GLY . 12.4 pt-20 -85.11 172.07 11.53 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 117.54 0.67 . . . . 0.0 111.799 -176.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.82 -39.98 0.3 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.514 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.82 85.95 1.25 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.576 0.75 . . . . 0.0 110.467 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.6 -51.4 0.17 Allowed Glycine 0 C--N 1.335 0.505 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -89.24 158.08 2.99 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 123.982 0.913 . . . . 0.0 109.129 167.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.32 147.5 53.23 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.715 0.406 . . . . 0.0 111.66 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.04 146.44 10.26 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -46.1 89.67 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.202 0.601 . . . . 0.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -163.54 160.4 23.07 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.881 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.94 -31.76 4.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.956 0.902 . . . . 0.0 110.733 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.6 t -108.38 -5.69 16.57 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.015 0.926 . . . . 0.0 111.34 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.35 -172.68 0.14 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.343 1.057 . . . . 0.0 111.415 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -44.95 13.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.935 0.494 . . . . 0.0 109.875 172.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.6 m 53.18 -81.41 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.021 1.728 . . . . 0.0 112.627 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -147.0 129.6 16.0 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.8 mt -89.16 146.68 24.63 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.175 0.59 . . . . 0.0 109.882 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 12.6 t -66.42 96.18 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.981 172.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.0 Cg_exo -23.95 -56.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.384 2.404 1 C-N-CA 125.985 4.456 . . . . 0.0 117.176 -157.17 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 55' ' ' GLN . 35.8 t -79.15 -25.52 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 122.953 0.501 . . . . 0.0 112.194 -169.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 20.5 p -120.17 123.28 42.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.765 -0.584 . . . . 0.0 109.471 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 109.95 2.47 Favored Glycine 0 C--N 1.351 1.399 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -162.2 102.71 1.11 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 120.1 14.58 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.232 0.957 . . . . 0.0 112.364 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.57 131.51 49.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.048 0.939 . . . . 0.0 109.62 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -20.21 62.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.932 0.893 . . . . 0.0 112.174 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -141.44 153.56 45.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.44 0.696 . . . . 0.0 110.162 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.45 -19.75 64.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 123.597 0.759 . . . . 0.0 110.885 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.23 87.19 Favored Glycine 0 C--N 1.349 1.3 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.75 60.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.638 0.775 . . . . 0.0 111.494 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.46 -57.86 9.68 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.693 0.797 . . . . 0.0 110.228 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -61.74 -26.23 67.93 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.468 1.107 . . . . 0.0 111.308 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.86 -44.51 89.49 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.968 0.792 . . . . 0.0 111.259 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.4 t-80 -71.34 -36.08 71.41 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.436 0.562 . . . . 0.0 109.901 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' HB3' HG11 ' A' ' 56' ' ' VAL . 93.5 mt -65.81 -32.35 73.84 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.061 0.851 . . . . 0.0 112.288 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -84.41 -32.02 24.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 122.021 -0.424 . . . . 0.0 111.583 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.39 -78.2 0.34 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.532 0.333 . . . . 0.0 111.281 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -102.3 17.54 23.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.173 0.589 . . . . 0.0 111.695 -169.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.487 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -147.97 27.0 0.98 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.807 0.443 . . . . 0.0 111.296 178.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.88 60.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.989 0.916 . . . . 0.0 112.012 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -14.39 62.45 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.553 0.741 . . . . 0.0 111.76 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' HG21 ' A' ' 33' ' ' VAL . 27.0 mm-40 -107.44 -12.71 15.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.807 0.843 . . . . 0.0 112.862 -174.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' A' ' 48' ' ' LEU . 31.7 m -110.0 144.78 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 120.95 0.405 . . . . 0.0 110.524 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.2 m-85 -133.37 83.47 49.7 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 125.005 1.322 . . . . 0.0 109.37 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.2 Cg_endo -75.53 118.04 5.0 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.578 2.185 . . . . 0.0 112.117 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 47.2 t -70.55 103.45 2.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 171.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -50.77 -48.31 59.41 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.919 1.687 . . . . 0.0 115.474 -153.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 19.3 m-85 -82.39 -5.51 58.69 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.804 0.442 . . . . 0.0 111.699 -166.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.98 157.28 78.52 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.18 42.17 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.578 2.185 . . . . 0.0 113.118 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.22 92.08 3.91 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.24 1.016 . . . . 0.0 109.366 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 48.9 m -93.2 113.42 25.64 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -90.73 168.39 11.79 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 109.343 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -116.03 -4.67 11.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.203 0.601 . . . . 0.0 109.706 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -129.57 136.39 49.74 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.849 0.86 . . . . 0.0 109.609 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 p -65.76 -30.47 3.91 Favored Pre-proline 0 CA--C 1.571 1.764 0 CA-C-O 117.373 -1.298 . . . . 0.0 113.958 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.33 -47.2 27.1 Favored 'Trans proline' 0 C--N 1.407 3.642 0 C-N-CA 122.141 1.894 . . . . 0.0 112.946 167.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.01 93.99 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.009 0.193 . . . . 0.0 112.762 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 57' ' ' PHE . 66.6 tp -57.55 -58.96 6.02 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.867 0.867 . . . . 0.0 110.795 176.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -66.91 -33.34 75.37 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.728 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -70.86 -24.35 62.5 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.465 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.9 t-80 -71.93 -56.85 4.96 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.452 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.9 mt -50.78 -36.97 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 124.846 1.259 . . . . 0.0 112.158 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -83.97 -57.74 3.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.233 0.613 . . . . 0.0 111.482 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -89.6 -59.8 2.11 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.965 0.506 . . . . 0.0 112.347 -166.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -96.43 10.23 38.86 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.921 0.488 . . . . 0.0 112.128 -173.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.0 OUTLIER -145.36 45.95 0.54 Allowed Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 124.123 0.969 . . . . 0.0 108.626 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.99 168.29 25.12 Favored 'Trans proline' 0 C--N 1.385 2.482 0 C-N-CA 122.554 2.169 . . . . 0.0 112.77 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.4 t 65.9 12.85 8.69 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.666 1.186 . . . . 0.0 111.53 -176.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -51.77 16.55 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.1 100.82 12.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.792 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 123.817 0.847 . . . . 0.0 110.914 179.505 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -128.99 124.94 36.31 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.728 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -124.85 126.69 45.98 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 t -61.83 102.69 0.33 Allowed Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 48' ' ' LEU . 85.1 Cg_exo -49.57 -17.45 1.86 Allowed 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 124.463 3.442 . . . . 0.0 117.125 -165.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.29 -26.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 C-N-CA 122.716 0.406 . . . . 0.0 111.603 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.18 117.91 17.06 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.132 0.573 . . . . 0.0 110.016 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.01 110.52 3.54 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -158.72 119.38 3.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -172.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 m -71.21 115.81 10.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.241 0.616 . . . . 0.0 111.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -114.77 128.81 56.51 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.651 0.78 . . . . 0.0 108.921 172.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.75 -46.52 21.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.9 m -78.29 140.01 38.85 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.444 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -78.2 -35.31 48.74 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.275 0.63 . . . . 0.0 110.633 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.27 -23.95 68.59 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.78 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.35 -32.28 68.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.585 0.754 . . . . 0.0 111.117 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -67.64 -49.25 63.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.838 0.855 . . . . 0.0 110.578 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.87 -40.91 95.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -68.56 -34.81 76.48 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.22 0.325 . . . . 0.0 110.49 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.48 -22.59 63.6 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.567 0.222 . . . . 0.0 110.647 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 32' ' ' PRO . 91.2 mt -79.84 -66.62 0.85 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.988 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -62.55 -21.04 65.27 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -167.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -89.49 -65.42 1.02 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.288 0.635 . . . . 0.0 110.924 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -96.26 -60.06 1.7 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.038 0.535 . . . . 0.0 111.411 -170.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -92.65 47.35 1.29 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.057 0.943 . . . . 0.0 111.738 -171.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.13 -5.09 53.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.451 -175.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.68 -34.51 75.8 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.678 0.391 . . . . 0.0 111.455 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -87.13 -30.96 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.569 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.51 140.42 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.069 0.547 . . . . 0.0 110.468 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -113.84 95.76 38.72 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 123.939 0.896 . . . . 0.0 110.725 -173.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 87.5 Cg_endo -79.88 121.07 4.42 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.991 2.461 . . . . 0.0 112.807 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -67.93 101.61 1.13 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -55.08 -27.02 41.8 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -155.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -76.62 -20.35 56.83 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.828 0.451 . . . . 0.0 111.572 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 30.7 p -133.5 154.72 80.95 Favored Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.202 1.001 . . . . 0.0 109.695 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.12 4.55 4.19 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.315 2.01 . . . . 0.0 113.738 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.54 95.89 0.11 Allowed 'General case' 0 C--O 1.25 1.084 0 C-N-CA 123.381 0.672 . . . . 0.0 110.228 173.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 29.4 m -93.23 123.49 36.54 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.174 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.04 157.69 17.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.441 0.696 . . . . 0.0 110.507 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 32' ' ' PRO . 45.8 m-85 -109.58 22.18 16.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.029 0.932 . . . . 0.0 109.525 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -155.18 150.55 27.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.679 0.792 . . . . 0.0 109.607 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -70.57 -48.4 16.94 Favored Pre-proline 0 CA--C 1.562 1.41 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.475 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 26.3 Cg_endo -59.27 -40.77 65.56 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 122.122 1.882 . . . . 0.0 112.383 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.8 59.45 Favored Glycine 0 C--N 1.356 1.639 0 O-C-N 123.362 0.414 . . . . 0.0 113.616 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.9 -59.41 4.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.537 1.135 . . . . 0.0 111.606 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -72.75 -27.58 62.11 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.121 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 64.5 mtp180 -64.53 -23.81 67.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.315 0.384 . . . . 0.0 112.029 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.07 -50.47 27.97 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -29.48 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.75 -50.64 9.02 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.161 0.584 . . . . 0.0 110.774 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -92.96 -62.7 1.33 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.8 t -102.28 7.93 40.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.574 0.75 . . . . 0.0 112.599 -164.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.558 1.273 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 CA--C 1.546 0.803 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -144.41 125.52 14.55 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.63 1.172 . . . . 0.0 108.089 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.5 141.98 45.61 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.17 0.588 . . . . 0.0 110.386 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 35.8 t -83.01 95.56 0.29 Allowed Pre-proline 0 N--CA 1.478 0.936 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 168.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -53.36 -16.65 7.59 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 123.811 3.007 . . . . 0.0 116.322 -164.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -82.83 -31.41 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.245 0.618 . . . . 0.0 111.303 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 p -138.14 147.31 43.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.46 0.704 . . . . 0.0 110.803 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 109.5 2.92 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.7 108.19 0.48 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -166.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -108.57 134.88 50.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.622 0.769 . . . . 0.0 110.939 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -139.91 142.01 36.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.497 1.119 . . . . 0.0 109.002 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.52 -37.66 36.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.909 0.484 . . . . 0.0 109.715 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 p -77.89 123.55 26.9 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.012 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 21.3 ttpp -68.1 -30.3 69.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.097 0.559 . . . . 0.0 111.234 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.35 -34.74 89.35 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.226 0.329 . . . . 0.0 112.595 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.155 0.582 . . . . 0.0 110.524 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -65.77 -44.64 85.22 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.117 0.567 . . . . 0.0 110.166 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 59.9 mm-40 -56.81 -52.6 64.44 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 124.113 0.883 . . . . 0.0 110.565 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.24 -27.81 68.92 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.728 0.643 . . . . 0.0 112.552 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -70.57 -28.05 64.59 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 176.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.0 mt -86.28 -67.66 0.79 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.069 0.547 . . . . 0.0 111.798 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 16.0 ptm180 -57.76 -30.5 65.67 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 68.4 mt -95.5 -62.69 1.26 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.7 0.4 . . . . 0.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.7 mt -85.96 -49.0 8.18 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -168.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -116.65 54.68 0.84 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.049 0.928 . . . . 0.0 110.775 -169.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -87.79 7.33 30.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.189 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.58 62.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.095 0.958 . . . . 0.0 112.403 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -106.05 -26.17 11.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.753 0.421 . . . . 0.0 111.848 -177.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 53' ' ' ALA . 33.2 m -85.69 141.38 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.53 86.67 12.85 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.16 0.984 . . . . 0.0 110.344 -177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 84.1 Cg_endo -79.53 130.23 8.79 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.764 2.309 . . . . 0.0 112.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.98 103.76 0.25 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.98 -17.58 64.54 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -157.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -92.79 -22.54 19.28 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.112 0.565 . . . . 0.0 112.02 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -135.39 148.24 65.25 Favored Pre-proline 0 N--CA 1.485 1.288 0 CA-C-O 118.906 -0.569 . . . . 0.0 110.202 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.95 92.12 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 121.95 1.767 . . . . 0.0 112.219 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.88 95.53 1.53 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.641 1.177 . . . . 0.0 109.178 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 25.2 m -92.26 122.11 34.42 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.484 0.714 . . . . 0.0 110.79 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.99 168.92 8.87 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.065 0.946 . . . . 0.0 109.708 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.427 ' HD1' HG12 ' A' ' 56' ' ' VAL . 24.6 t80 -121.51 16.54 11.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.633 0.73 . . . . 0.0 109.751 175.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -133.6 138.89 46.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.306 0.642 . . . . 0.0 110.113 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 m -63.66 -44.68 81.29 Favored Pre-proline 0 CA--C 1.569 1.71 0 C-N-CA 123.968 0.907 . . . . 0.0 111.567 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 36.5 Cg_endo -64.94 -36.04 40.82 Favored 'Trans proline' 0 C--N 1.402 3.384 0 C-N-CA 121.785 1.657 . . . . 0.0 111.523 169.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.31 91.89 Favored Glycine 0 C--N 1.364 2.114 0 O-C-N 123.587 0.555 . . . . 0.0 113.027 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.5 -48.82 74.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.888 1.275 . . . . 0.0 110.414 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 m -74.91 -26.11 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.187 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.2 mtt-85 -61.28 -32.5 72.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.18 0.592 . . . . 0.0 111.593 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -52.79 41.13 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.28 -32.92 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.804 1.242 . . . . 0.0 112.126 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -81.78 -58.49 2.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.277 0.631 . . . . 0.0 110.002 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -90.65 -61.2 1.73 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.461 0.704 . . . . 0.0 112.656 -167.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -101.94 10.11 39.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.516 0.727 . . . . 0.0 112.099 -167.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 . . . . . 0 CA--C 1.564 1.498 0 C-N-CA 124.11 0.964 . . . . 0.0 109.497 178.379 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 120.614 0.245 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -71.82 128.42 35.69 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.06 0.944 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.15 136.69 47.4 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.86 0.464 . . . . 0.0 110.862 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -67.19 111.41 7.14 Favored Pre-proline 0 N--CA 1.485 1.295 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.448 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' HD21 ' A' ' 48' ' ' LEU . 40.1 Cg_exo -39.01 -38.81 1.19 Allowed 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 125.041 3.827 . . . . 0.0 116.013 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 t -79.95 -23.31 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.605 0.762 . . . . 0.0 111.71 -172.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 23.1 p -145.2 118.2 8.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.978 0.511 . . . . 0.0 110.161 177.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.27 107.37 1.78 Allowed Glycine 0 C--N 1.353 1.487 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -154.34 126.37 7.76 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -77.24 115.68 17.22 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.963 0.789 . . . . 0.0 111.547 -167.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -121.53 125.37 46.62 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.656 0.782 . . . . 0.0 108.97 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.51 -43.31 27.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -77.8 133.49 38.2 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.836 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -62.55 -35.03 78.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.683 0.793 . . . . 0.0 110.906 173.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.72 90.7 Favored Glycine 0 C--N 1.346 1.102 0 O-C-N 123.3 0.375 . . . . 0.0 112.953 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -33.97 70.35 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.533 0.733 . . . . 0.0 110.934 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -69.41 -47.6 63.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.986 0.914 . . . . 0.0 109.874 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -46.01 90.79 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.835 1.654 . . . . 0.0 111.636 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -66.39 -30.36 70.72 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.575 0.547 . . . . 0.0 111.53 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 2.4 t-80 -69.01 -22.21 64.08 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 32' ' ' PRO . 96.8 mt -84.67 -65.32 1.02 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.731 0.644 . . . . 0.0 110.166 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -65.89 -23.73 66.7 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -168.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -97.06 -70.96 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.804 0.442 . . . . 0.0 110.381 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.86 -62.74 1.58 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.119 0.567 . . . . 0.0 111.549 -169.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.513 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 7.7 m170 -86.93 43.46 1.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.531 1.132 . . . . 0.0 111.505 -176.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.73 1.98 24.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.804 1.242 . . . . 0.0 111.63 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -20.93 60.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.862 0.865 . . . . 0.0 111.483 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -102.96 -26.92 12.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.156 0.582 . . . . 0.0 111.832 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 24.5 m -101.21 115.42 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.208 0.528 . . . . 0.0 109.747 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -92.21 102.46 6.43 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 124.542 1.137 . . . . 0.0 110.197 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.05 120.34 4.97 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.604 2.203 . . . . 0.0 111.091 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -57.23 104.51 0.17 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 172.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.69 -31.37 6.71 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -154.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -73.7 -19.15 60.9 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 122.938 0.495 . . . . 0.0 111.56 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.577 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.1 p -132.23 159.76 70.85 Favored Pre-proline 0 N--CA 1.482 1.14 0 C-N-CA 124.623 1.169 . . . . 0.0 110.562 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.86 9.1 3.41 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.539 2.159 . . . . 0.0 113.836 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.56 5.72 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.72 0.808 . . . . 0.0 110.46 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 20.5 p -91.57 146.29 23.91 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.611 0.764 . . . . 0.0 111.061 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.22 120.56 19.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.337 1.055 . . . . 0.0 108.796 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -66.6 -14.04 61.87 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.256 0.622 . . . . 0.0 111.252 -172.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.403 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 50.5 m -123.38 142.2 51.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 110.223 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 43.0 p -66.69 -29.01 2.49 Favored Pre-proline 0 CA--C 1.57 1.734 0 CA-C-O 118.299 -0.857 . . . . 0.0 113.165 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 63.1 Cg_exo -47.95 -47.57 18.64 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 122.176 1.917 . . . . 0.0 113.594 160.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.51 93.24 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 116.594 -0.275 . . . . 0.0 112.608 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' CYS . 22.8 tp -50.8 -56.61 11.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.043 1.337 . . . . 0.0 111.331 175.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 t -71.95 -32.16 67.03 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.148 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -70.2 -20.66 63.09 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.0 t-80 -75.08 -35.05 61.84 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.509 1.05 . . . . 0.0 108.882 170.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.0 mt -73.04 -20.45 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 C-N-CA 123.735 0.814 . . . . 0.0 110.123 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.49 -41.73 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.572 -0.705 . . . . 0.0 110.811 173.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -91.8 -62.66 1.38 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.982 0.513 . . . . 0.0 112.222 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.08 20.68 12.63 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.871 0.869 . . . . 0.0 112.279 -167.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.577 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 1.7 m170 . . . . . 0 N--CA 1.482 1.173 0 C-N-CA 124.582 1.153 . . . . 0.0 109.315 171.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -156.61 131.41 8.94 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.222 1.009 . . . . 0.0 108.909 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.15 143.21 31.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.551 0.74 . . . . 0.0 109.596 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 38' ' ' PHE . 12.7 t -62.36 117.36 29.78 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.242 0.617 . . . . 0.0 109.634 170.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 72.8 Cg_exo -46.65 -27.28 5.2 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 124.207 3.271 . . . . 0.0 116.258 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 t -94.7 -21.59 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.1 p -147.9 114.12 5.88 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.37 109.91 2.78 Favored Glycine 0 C--N 1.358 1.77 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -161.67 116.79 2.01 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -169.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -77.6 115.4 17.33 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.549 0.531 . . . . 0.0 111.596 -170.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.403 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 62.4 m-85 -110.1 130.09 55.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 170.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.46 -25.73 26.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.903 0.481 . . . . 0.0 109.816 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -95.81 132.17 41.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.892 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -64.46 -26.64 68.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.104 0.962 . . . . 0.0 111.401 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.58 -50.42 67.95 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.474 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.78 62.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.581 0.753 . . . . 0.0 111.411 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.454 HE22 ' HD3' ' A' ' 32' ' ' PRO . 51.4 tp60 -56.61 -55.54 32.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.974 0.909 . . . . 0.0 110.712 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.7 -34.36 64.81 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.18 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.19 -27.63 69.49 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.606 0.362 . . . . 0.0 111.042 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.28 -60.25 3.64 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 32' ' ' PRO . 26.1 mt -63.1 -22.68 67.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.712 0.805 . . . . 0.0 112.662 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -84.8 -36.04 21.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.356 1.063 . . . . 0.0 112.081 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.7 mt -125.84 -61.86 1.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.725 -167.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.09 -7.93 57.56 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.667 0.787 . . . . 0.0 112.735 -167.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 40.81 0.35 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.733 1.213 . . . . 0.0 108.957 -173.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -20.47 27.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 113.988 -1.46 . . . . 0.0 113.006 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.34 -14.62 61.33 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.94 0.496 . . . . 0.0 112.204 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -101.11 -6.95 23.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.272 0.629 . . . . 0.0 111.604 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.53 145.19 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.002 0.521 . . . . 0.0 109.826 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.6 m-85 -125.84 96.82 36.92 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.769 0.828 . . . . 0.0 110.881 -173.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.1 Cg_endo -77.14 124.86 7.51 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 122.714 2.276 . . . . 0.0 112.135 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.7 t -66.93 101.75 0.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -50.27 -43.02 53.16 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.471 1.509 . . . . 0.0 114.868 -155.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.2 m-85 -79.75 -13.01 59.75 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.932 -165.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 p -133.56 145.25 55.56 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.717 0.807 . . . . 0.0 109.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.8 89.53 0.29 Allowed 'Trans proline' 0 CA--C 1.557 1.632 0 C-N-CA 121.685 1.59 . . . . 0.0 111.776 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.67 103.58 1.92 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.961 0.905 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 86.1 m -94.93 137.44 33.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.185 0.594 . . . . 0.0 111.183 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -113.29 167.3 10.67 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.213 1.005 . . . . 0.0 109.797 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.1 20.74 16.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.758 0.823 . . . . 0.0 109.81 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -160.32 140.86 11.77 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.221 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 32.2 t -68.75 -39.37 14.19 Favored Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 123.98 0.912 . . . . 0.0 112.865 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' SER . 23.8 Cg_endo -61.68 -33.57 85.82 Favored 'Trans proline' 0 C--N 1.393 2.911 0 CA-C-N 121.287 1.495 . . . . 0.0 111.382 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.542 ' HA2' ' HE ' ' A' ' 74' ' ' ARG . . . -63.44 -40.76 99.19 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 123.421 0.451 . . . . 0.0 112.551 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 57' ' ' PHE . 57.3 tp -54.85 -50.93 67.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.366 1.066 . . . . 0.0 110.415 172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.0 m -61.99 -38.79 89.93 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.326 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.542 ' HE ' ' HA2' ' A' ' 71' ' ' GLY . 50.2 mtm180 -65.97 -23.23 66.55 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.43 -53.79 11.21 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -53.72 -36.81 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.186 1.394 . . . . 0.0 112.069 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.58 -53.74 5.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.259 0.623 . . . . 0.0 112.033 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -90.83 -62.9 1.35 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -171.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.2 t -100.22 12.14 37.73 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.329 0.652 . . . . 0.0 111.818 -164.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.7 t-160 . . . . . 0 CA--C 1.561 1.376 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 78.9 m . . . . . 0 C--O 1.242 0.707 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.26 117.0 7.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.566 0.542 . . . . 0.0 109.694 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -103.8 120.83 41.78 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 30.6 t -58.16 106.65 0.73 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.164 0.986 . . . . 0.0 108.749 171.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.608 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.5 Cg_exo -46.37 -26.61 4.16 Favored 'Trans proline' 0 C--N 1.388 2.608 0 C-N-CA 124.143 3.228 . . . . 0.0 115.742 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 t -92.72 -19.96 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 C-N-CA 123.579 0.751 . . . . 0.0 111.456 -173.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -150.86 122.08 7.78 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.106 0.562 . . . . 0.0 109.641 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 112.84 5.21 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -164.99 129.38 2.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.767 0.827 . . . . 0.0 109.018 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 36.6 p -83.52 132.24 34.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 111.256 -173.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.14 128.08 37.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.987 0.915 . . . . 0.0 109.307 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.8 -22.73 19.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -90.07 123.89 34.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.212 1.005 . . . . 0.0 109.486 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 64.3 tttp -60.27 -46.06 91.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.66 0.784 . . . . 0.0 111.527 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.22 65.88 Favored Glycine 0 C--N 1.343 0.961 0 O-C-N 123.912 0.757 . . . . 0.0 113.982 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.65 80.61 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.581 0.752 . . . . 0.0 110.969 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.68 -43.92 83.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.94 0.896 . . . . 0.0 111.034 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 28.8 mm-40 -63.55 -55.74 21.43 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.737 0.815 . . . . 0.0 110.228 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.1 ptp180 -65.08 -24.63 67.51 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 123.88 0.737 . . . . 0.0 111.694 -175.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -67.49 -44.28 78.87 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.055 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HD2' ' A' ' 32' ' ' PRO . 69.5 mt -77.53 -63.48 1.37 Allowed 'General case' 0 C--O 1.212 -0.883 0 O-C-N 123.221 0.326 . . . . 0.0 111.416 -177.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.548 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 2.4 ptm180 -64.48 -20.19 66.03 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -172.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 mt -114.32 -66.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.74 0.416 . . . . 0.0 110.727 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.91 -27.16 57.56 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.528 0.731 . . . . 0.0 112.597 -168.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -138.95 44.0 2.05 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.187 0.995 . . . . 0.0 109.939 -169.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -81.76 3.05 27.2 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.964 -1.471 . . . . 0.0 112.69 -176.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.07 -46.11 82.53 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.312 0.645 . . . . 0.0 111.25 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.64 -42.51 11.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.064 0.546 . . . . 0.0 111.572 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -79.92 169.03 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.92 0.391 . . . . 0.0 110.557 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 93.1 m-85 -129.25 83.68 64.78 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.945 0.898 . . . . 0.0 110.252 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.5 Cg_exo -73.86 119.2 5.76 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 123.15 2.567 . . . . 0.0 111.575 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.4 t -63.61 102.14 0.41 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -51.75 -41.38 61.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -149.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 22.3 m-85 -81.67 -7.08 59.55 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.369 0.531 . . . . 0.0 111.251 -171.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 20.2 p -132.5 149.54 73.36 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.606 0.762 . . . . 0.0 109.548 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.72 1.24 3.94 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.844 2.363 . . . . 0.0 114.567 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.14 104.17 0.55 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.594 0.758 . . . . 0.0 110.445 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 28.8 m -105.88 137.71 43.3 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.04 0.936 . . . . 0.0 110.566 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.26 168.48 9.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.283 1.033 . . . . 0.0 109.547 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HD1' HG12 ' A' ' 56' ' ' VAL . 17.8 t80 -115.24 8.53 15.53 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.153 0.581 . . . . 0.0 109.593 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -142.56 142.82 32.24 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 123.523 0.729 . . . . 0.0 109.904 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 14.7 m -66.67 -42.0 42.43 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 124.609 1.164 . . . . 0.0 112.786 -176.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.1 -34.56 94.4 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 121.654 1.569 . . . . 0.0 112.317 170.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -41.9 98.73 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 123.394 0.434 . . . . 0.0 112.589 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 69' ' ' SER . 52.6 tp -51.22 -47.76 62.23 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.845 1.258 . . . . 0.0 111.262 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -74.09 -31.36 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.624 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -66.75 -28.74 68.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.89 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 14.6 t-80 -68.93 -34.22 75.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.817 0.735 . . . . 0.0 110.199 176.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.692 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 57.0 mt -63.89 -54.69 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 124.305 1.003 . . . . 0.0 109.7 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -67.6 -25.5 65.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.575 0.75 . . . . 0.0 112.628 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.67 -60.69 1.99 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.165 0.586 . . . . 0.0 111.821 -175.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -149.15 31.93 0.75 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.981 0.512 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.1 t-160 . . . . . 0 CA--C 1.551 0.983 0 CA-C-O 120.708 0.29 . . . . 0.0 110.974 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.236 0.384 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -148.59 134.74 19.28 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.784 0.833 . . . . 0.0 110.55 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.4 mt -126.98 135.44 50.86 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 174.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 34.6 t -56.87 109.45 1.72 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 118.63 0.65 . . . . 0.0 109.597 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -37.95 -37.91 0.65 Allowed 'Trans proline' 0 C--N 1.392 2.825 1 C-N-CA 125.362 4.041 . . . . 0.0 117.056 -166.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 t -92.45 -22.83 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 C-N-CA 123.12 0.568 . . . . 0.0 112.02 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.612 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 21.5 p -133.26 126.91 32.53 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.857 0.463 . . . . 0.0 110.588 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.86 111.28 3.79 Favored Glycine 0 C--N 1.362 1.982 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -160.29 109.2 1.71 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -163.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 m -69.05 116.75 9.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.949 0.9 . . . . 0.0 112.836 -168.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -130.88 160.08 35.51 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 123.9 0.88 . . . . 0.0 109.886 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.74 -55.46 2.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.29 1.036 . . . . 0.0 108.612 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.3 t -75.45 136.18 40.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.949 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.1 ttpt -72.9 -21.97 60.82 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.196 0.31 . . . . 0.0 110.597 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 -33.32 72.55 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -80.93 -23.07 39.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.206 1.002 . . . . 0.0 111.784 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.9 -44.46 63.67 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 0.0 110.112 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 22.7 mm-40 -75.18 -25.69 58.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 10.7 ptp180 -61.12 -40.57 94.3 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 123.325 0.391 . . . . 0.0 110.31 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t-80 -68.66 -36.37 78.48 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 95.9 mt -67.16 -39.89 86.58 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.083 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' HD3' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -85.45 -19.23 31.6 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 178.245 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 82.4 mt -93.18 -81.45 0.36 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.69 0.396 . . . . 0.0 111.521 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.417 HD12 ' NE2' ' A' ' 47' ' ' HIS . 80.3 mt -89.47 -47.86 7.71 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.554 . . . . 0.0 110.887 -168.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.612 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.4 m170 -83.08 39.72 0.66 Allowed 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.522 1.129 . . . . 0.0 111.195 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' LEU . . . -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.132 1.373 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.51 -20.26 64.57 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.261 0.624 . . . . 0.0 111.096 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -85.27 -11.3 55.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.658 0.783 . . . . 0.0 112.23 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.9 163.07 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 120.929 0.395 . . . . 0.0 110.164 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -131.18 83.32 60.51 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.618 1.167 . . . . 0.0 108.859 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.11 124.95 6.24 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.616 2.21 . . . . 0.0 112.118 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 15.4 t -66.26 102.98 0.91 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.85 -39.42 53.56 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.178 1.791 . . . . 0.0 114.841 -154.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.38 -9.1 59.14 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.545 0.738 . . . . 0.0 112.032 -170.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.541 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.4 p -132.79 150.82 76.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.015 0.926 . . . . 0.0 110.457 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.23 80.69 2.63 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.197 1.931 . . . . 0.0 111.282 173.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.59 106.05 3.52 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.267 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 p -91.88 136.2 33.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.446 0.641 . . . . 0.0 110.983 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -119.29 149.1 42.35 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.859 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -97.08 13.11 30.25 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 122.177 -0.327 . . . . 0.0 110.673 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 m -139.92 136.89 34.34 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.97 0.908 . . . . 0.0 109.678 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.7 p -71.01 -34.58 3.55 Favored Pre-proline 0 CA--C 1.568 1.662 0 C-N-CA 123.729 0.811 . . . . 0.0 112.512 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 -36.21 78.08 Favored 'Trans proline' 0 C--N 1.395 3.021 0 CA-C-N 121.358 1.521 . . . . 0.0 111.825 165.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.05 88.3 Favored Glycine 0 C--N 1.36 1.89 0 O-C-N 123.649 0.593 . . . . 0.0 112.664 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.67 -49.84 76.16 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.474 1.11 . . . . 0.0 109.887 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 17.8 m -69.31 -24.11 63.89 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.766 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.6 mmp_? -62.17 -50.84 70.25 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.616 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 6.2 t-80 -69.97 -21.22 63.26 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 117.89 0.314 . . . . 0.0 111.13 -177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 73' ' ' THR . 81.6 mt -66.74 -65.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.455 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER -66.18 -13.52 60.37 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 85.0 tttt -91.9 -61.23 1.67 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.867 0.867 . . . . 0.0 111.233 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 75.4 m -138.41 11.21 2.76 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -167.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.541 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 6.1 m80 . . . . . 0 N--CA 1.492 1.644 0 C-N-CA 123.202 0.601 . . . . 0.0 111.034 172.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -140.41 141.1 35.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.08 0.952 . . . . 0.0 110.02 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 71.7 mt -134.9 138.62 44.28 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HA ' HE22 ' A' ' 44' ' ' GLN . 53.1 t -58.47 109.96 2.24 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 173.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.579 ' HD2' HD21 ' A' ' 48' ' ' LEU . 83.6 Cg_exo -48.89 -35.25 30.87 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 123.758 2.972 . . . . 0.0 115.039 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.9 -31.0 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.561 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 14.3 p -142.61 112.07 6.7 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.18 112.16 2.44 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.059 0.225 . . . . 0.0 112.777 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 9.0 tp10 -147.16 122.64 10.39 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -70.73 120.42 16.3 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.399 0.68 . . . . 0.0 112.517 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 39.5 m-85 -136.79 145.97 45.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.555 1.142 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.31 -46.13 4.49 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.822 -0.806 . . . . 0.0 108.822 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -65.73 132.19 48.15 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.166 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 62.4 pttt -71.18 -24.94 62.33 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.152 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -38.18 74.43 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.376 0.423 . . . . 0.0 112.217 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.25 63.52 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.379 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 31' ' ' CYS . 16.7 tp60 -59.05 -51.43 70.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.844 0.857 . . . . 0.0 110.658 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 9.0 mm-40 -76.01 -17.54 59.64 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.723 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -60.13 -52.34 65.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.558 0.743 . . . . 0.0 111.902 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -68.6 -31.14 70.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.579 HD21 ' HD2' ' A' ' 32' ' ' PRO . 59.0 mt -70.01 -37.81 75.77 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.27 -26.58 33.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.869 0.304 . . . . 0.0 110.718 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -96.94 -82.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.821 0.448 . . . . 0.0 111.682 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.94 2.11 56.18 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -166.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.561 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.1 m170 -138.69 37.65 2.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.883 0.849 . . . . 0.0 109.784 173.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -69.3 -14.2 62.81 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.146 177.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.19 64.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.443 1.097 . . . . 0.0 112.702 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -108.94 -14.75 14.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.85 0.46 . . . . 0.0 112.169 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 53' ' ' ALA . 32.0 m -98.45 149.53 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 72' ' ' LEU . 94.0 m-85 -133.4 83.91 48.17 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 123.963 0.905 . . . . 0.0 109.3 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 57.6 Cg_endo -70.35 124.12 10.54 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.549 2.166 . . . . 0.0 111.733 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.5 t -56.18 114.09 1.82 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -45.58 -34.21 3.24 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.055 1.342 . . . . 0.0 114.571 -164.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.26 -28.12 14.21 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.155 0.582 . . . . 0.0 112.295 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.8 p -133.85 138.41 30.77 Favored Pre-proline 0 N--CA 1.491 1.59 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -62.81 9.68 0.1 Allowed 'Trans proline' 0 N--CA 1.51 2.473 0 C-N-CA 123.938 3.092 . . . . 0.0 116.074 -172.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.91 97.39 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.636 0.774 . . . . 0.0 110.311 167.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.3 m -95.41 111.72 23.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.174 0.589 . . . . 0.0 110.591 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -94.79 123.35 38.19 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 110.146 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -82.16 47.86 1.18 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.1 p -158.6 136.29 10.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.16 0.584 . . . . 0.0 110.08 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 m -60.71 -47.37 96.12 Favored Pre-proline 0 CA--C 1.563 1.473 0 C-N-CA 123.601 0.76 . . . . 0.0 112.096 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.56 -40.05 19.35 Favored 'Trans proline' 0 C--N 1.387 2.603 0 CA-C-N 121.24 1.478 . . . . 0.0 112.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.74 -36.28 71.44 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.489 0.493 . . . . 0.0 114.149 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 57' ' ' PHE . 55.7 tp -58.89 -52.81 64.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.777 0.831 . . . . 0.0 110.351 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 m -65.33 -33.88 77.01 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.268 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.01 -39.65 90.42 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.484 0.714 . . . . 0.0 112.07 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -69.24 -57.52 5.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.5 mt -56.56 -35.22 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 124.215 1.006 . . . . 0.0 112.877 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -87.35 -48.19 8.19 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -92.57 -61.88 1.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -171.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 45.8 t -92.64 1.28 57.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.29 0.636 . . . . 0.0 111.954 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 . . . . . 0 CA--C 1.563 1.469 0 C-N-CA 123.262 0.625 . . . . 0.0 109.62 -177.082 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 120.859 0.361 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.49 138.15 34.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.154 0.982 . . . . 0.0 109.774 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.0 mt -133.09 140.8 47.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.617 0.767 . . . . 0.0 109.986 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.6 t -80.99 100.51 0.7 Allowed Pre-proline 0 N--CA 1.479 0.989 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 166.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD2' HD21 ' A' ' 48' ' ' LEU . 24.4 Cg_endo -56.43 -19.54 29.33 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.366 2.711 . . . . 0.0 114.79 -169.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 t -82.03 -27.34 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 123.363 0.665 . . . . 0.0 111.453 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.6 129.22 20.3 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.015 0.526 . . . . 0.0 110.338 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 109.64 2.65 Favored Glycine 0 C--N 1.353 1.508 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -164.91 119.41 1.32 Allowed 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.059 0.943 . . . . 0.0 109.103 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.5 p -79.69 143.01 34.98 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.584 0.754 . . . . 0.0 110.704 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.98 131.72 27.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.508 1.123 . . . . 0.0 109.43 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.05 15.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -81.93 157.05 24.45 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.084 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -74.18 -54.45 7.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.889 0.876 . . . . 0.0 110.027 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.37 -28.76 67.7 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 124.248 0.968 . . . . 0.0 113.556 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.53 88.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.648 0.779 . . . . 0.0 111.078 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -65.77 -50.19 65.64 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.31 0.644 . . . . 0.0 110.316 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.533 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -30.05 63.15 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.435 0.459 . . . . 0.0 110.864 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -70.04 -21.36 63.19 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.579 178.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.9 mt -87.53 -65.46 1.01 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.657 0.783 . . . . 0.0 110.919 171.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -53.6 -43.58 68.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.439 1.495 . . . . 0.0 111.445 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.56 -70.36 0.58 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.758 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.7 -68.78 0.65 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.03 0.532 . . . . 0.0 112.014 -167.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -90.8 61.33 4.72 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.504 1.122 . . . . 0.0 111.383 -171.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -96.76 1.27 50.65 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.423 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -21.19 55.77 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.847 0.459 . . . . 0.0 111.578 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -109.61 -10.95 14.82 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.13 0.572 . . . . 0.0 111.869 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 53' ' ' ALA . 20.2 m -111.18 155.64 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 121.246 0.545 . . . . 0.0 109.724 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.12 84.58 47.77 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 109.556 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 65.6 Cg_endo -73.34 116.03 4.55 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.364 2.042 . . . . 0.0 111.339 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 37.9 t -60.14 102.54 0.17 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -40.02 -50.23 2.55 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -151.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -84.39 -10.66 57.35 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 -164.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 15.6 p -131.36 161.6 61.02 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.192 0.997 . . . . 0.0 109.509 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -77.5 -0.27 10.46 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.338 2.025 . . . . 0.0 114.005 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -64.66 97.98 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.955 0.902 . . . . 0.0 110.728 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.0 m -103.03 139.38 38.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.806 0.842 . . . . 0.0 110.034 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -126.28 149.59 49.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.089 0.956 . . . . 0.0 109.578 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -91.52 18.03 7.88 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.987 0.515 . . . . 0.0 110.835 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 70' ' ' PRO . 50.2 m -147.78 136.43 21.79 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.841 0.856 . . . . 0.0 109.762 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 22.9 t -67.52 -35.59 8.56 Favored Pre-proline 0 CA--C 1.566 1.566 0 C-N-CA 123.911 0.885 . . . . 0.0 112.144 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' A' ' 68' ' ' SER . 7.2 Cg_endo -51.59 -52.84 8.14 Favored 'Trans proline' 0 C--N 1.403 3.431 0 C-N-CA 122.182 1.921 . . . . 0.0 111.693 165.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.37 -35.76 89.33 Favored Glycine 0 C--N 1.358 1.759 0 O-C-N 123.883 0.739 . . . . 0.0 113.67 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 tp -54.09 -55.32 28.63 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -75.01 -24.69 58.43 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.831 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -61.28 -38.72 87.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.982 0.513 . . . . 0.0 111.444 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.8 t-80 -65.24 -38.83 91.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.1 mt -58.94 -62.96 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.359 1.064 . . . . 0.0 111.024 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -67.54 -32.15 72.73 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.673 0.789 . . . . 0.0 112.747 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.675 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 34.8 ttpt -90.19 -59.59 2.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.324 0.649 . . . . 0.0 111.978 -172.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 80.6 m -142.21 42.95 1.66 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 4.0 t60 . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m . . . . . 0 N--CA 1.47 0.568 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -94.18 115.09 27.32 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.32 137.17 40.92 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.823 0.449 . . . . 0.0 110.3 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 20.2 t -55.53 108.59 1.22 Allowed Pre-proline 0 N--CA 1.483 1.177 0 C-N-CA 123.736 0.814 . . . . 0.0 108.822 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' HD11 ' A' ' 48' ' ' LEU . 20.4 Cg_endo -57.09 -3.16 0.65 Allowed 'Trans proline' 0 N--CA 1.506 2.213 0 C-N-CA 123.943 3.095 . . . . 0.0 116.886 -166.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.46 -13.82 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-N 118.293 0.497 . . . . 0.0 111.493 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.561 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 28.0 p -144.07 125.62 14.93 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.595 0.758 . . . . 0.0 109.874 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.81 2.13 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -170.91 97.6 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -164.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 p -77.09 136.51 38.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.651 0.78 . . . . 0.0 112.618 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -131.76 148.59 52.58 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.259 1.024 . . . . 0.0 109.399 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.96 -29.85 62.21 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.229 0.612 . . . . 0.0 110.931 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -117.57 156.66 27.71 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.807 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.34 -22.68 47.66 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.99 -41.67 99.68 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 121.239 0.355 . . . . 0.0 112.662 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.77 -18.59 59.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.772 0.829 . . . . 0.0 111.142 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -78.96 -51.01 10.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.437 0.695 . . . . 0.0 110.749 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.611 ' HA ' HD12 ' A' ' 48' ' ' LEU . 23.3 mm-40 -68.91 -23.32 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.949 -173.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -39.03 76.43 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.117 0.261 . . . . 0.0 110.886 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 5.5 t-80 -66.46 -26.03 67.0 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.441 0.639 . . . . 0.0 109.829 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 45' ' ' GLU . 71.0 mt -74.46 -65.6 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.48 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.417 HH11 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -62.13 -19.45 63.04 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HH11 ' A' ' 49' ' ' ARG . 95.8 mt -79.13 -76.06 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.564 0.346 . . . . 0.0 110.683 171.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.0 mt -100.79 -52.93 3.19 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.042 0.537 . . . . 0.0 111.816 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.561 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 31.3 m170 -87.25 47.61 1.53 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.293 1.037 . . . . 0.0 112.501 -169.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -91.16 4.14 52.99 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.79 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.33 71.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.37 0.268 . . . . 0.0 111.32 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -82.18 -29.25 31.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.874 0.469 . . . . 0.0 111.826 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HD13 ' A' ' 48' ' ' LEU . 32.1 m -103.82 159.02 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.611 0.719 . . . . 0.0 112.24 -176.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 92.4 m-85 -132.68 85.33 47.65 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.282 1.033 . . . . 0.0 109.779 -172.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.93 117.41 4.91 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.591 2.194 . . . . 0.0 112.532 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -67.91 99.07 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 165.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -62.89 -26.45 68.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -151.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.45 -23.31 65.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.715 0.806 . . . . 0.0 111.187 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.438 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.0 p -124.42 137.79 29.85 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.395 1.078 . . . . 0.0 108.963 175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.65 76.87 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 122.345 2.03 . . . . 0.0 111.486 171.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.08 107.33 4.04 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.113 0.965 . . . . 0.0 109.657 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 p -93.01 140.73 29.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.659 0.742 . . . . 0.0 111.598 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.03 168.46 9.41 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.308 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -116.86 6.32 13.1 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.297 0.57 . . . . 0.0 109.926 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.8 p -133.33 139.25 46.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.312 1.045 . . . . 0.0 110.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 15.8 m -62.59 -39.99 60.37 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.453 176.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' SER . 13.5 Cg_endo -56.25 -45.6 36.7 Favored 'Trans proline' 0 C--N 1.407 3.606 0 C-N-CA 122.572 2.181 . . . . 0.0 112.028 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.09 -38.5 93.14 Favored Glycine 0 C--N 1.357 1.743 0 O-C-N 123.452 0.47 . . . . 0.0 113.268 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.0 tp -54.94 -55.91 25.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.367 1.067 . . . . 0.0 110.867 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -68.45 -26.02 65.29 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.527 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -72.11 -39.03 69.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.122 0.569 . . . . 0.0 111.479 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.4 t-80 -72.99 -22.34 60.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.29 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.58 -66.98 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -45.4 -41.89 9.66 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.679 1.191 . . . . 0.0 113.326 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -92.62 -60.01 1.93 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.975 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -101.7 -15.72 16.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -161.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.438 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 5.8 m80 . . . . . 0 N--CA 1.483 1.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.717 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -82.87 116.25 22.1 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -118.11 127.64 53.97 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 13.7 t -55.51 107.43 0.88 Allowed Pre-proline 0 N--CA 1.484 1.234 0 O-C-N 124.141 0.901 . . . . 0.0 109.232 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HD2' HD21 ' A' ' 48' ' ' LEU . 65.2 Cg_exo -46.46 -26.85 4.48 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.772 2.981 . . . . 0.0 116.014 -174.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 55' ' ' GLN . 6.6 t -84.78 -21.19 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.427 0 C-N-CA 123.046 0.538 . . . . 0.0 111.641 -177.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.494 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 19.9 p -152.0 119.02 5.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.466 0.706 . . . . 0.0 109.551 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.94 2.21 Favored Glycine 0 C--N 1.363 2.048 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 121.74 6.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -167.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -66.61 122.73 18.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.294 0.996 . . . . 0.0 111.968 -170.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -136.8 136.9 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 0.0 108.812 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.67 23.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.326 0.65 . . . . 0.0 110.457 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -99.92 152.37 20.24 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.016 0.927 . . . . 0.0 111.538 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.82 -51.17 35.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.016 0.926 . . . . 0.0 110.592 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.89 -21.63 67.76 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.266 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -71.6 -35.83 70.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.364 0.666 . . . . 0.0 110.729 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.52 -48.47 72.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.237 170.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.3 -27.92 66.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.463 -173.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 12.9 ptm180 -69.93 -32.47 70.76 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 118.17 0.441 . . . . 0.0 110.513 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -69.36 -39.42 78.1 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.326 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.588 HD21 ' HD2' ' A' ' 32' ' ' PRO . 92.4 mt -70.38 -38.4 74.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.076 0.95 . . . . 0.0 112.068 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -39.29 23.89 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.098 0.559 . . . . 0.0 110.65 -172.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.2 -59.02 1.8 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.59 0.756 . . . . 0.0 111.574 -172.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.53 -7.55 25.77 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -165.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.494 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -147.88 37.1 0.87 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.984 -175.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.18 85.95 3.64 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.058 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.2 -56.33 0.09 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.689 0.796 . . . . 0.0 109.988 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 33' ' ' VAL . 84.7 mm-40 -90.79 -0.73 57.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.994 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 48' ' ' LEU . 32.2 m -109.44 145.81 15.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.607 0.763 . . . . 0.0 109.68 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 88.5 m-85 -133.16 82.52 53.67 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 124.22 1.008 . . . . 0.0 110.181 -172.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -78.32 116.3 3.86 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.8 2.333 . . . . 0.0 111.766 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.5 t -57.84 109.58 0.75 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -32.44 -46.65 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -159.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -84.85 -8.63 58.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.529 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 28.1 p -133.52 153.13 80.19 Favored Pre-proline 0 N--CA 1.482 1.169 0 C-N-CA 123.154 0.582 . . . . 0.0 110.449 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.57 9.05 2.36 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.798 2.332 . . . . 0.0 113.341 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.489 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -61.63 93.66 0.04 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.875 0.87 . . . . 0.0 109.682 171.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -92.14 113.41 25.67 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.191 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.47 167.25 12.74 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.107 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -121.8 25.45 9.2 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -144.12 135.73 25.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.498 1.119 . . . . 0.0 108.844 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -64.61 -41.18 55.82 Favored Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 124.032 0.933 . . . . 0.0 111.864 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.76 -51.56 10.84 Favored 'Trans proline' 0 C--N 1.405 3.509 0 C-N-CA 122.367 2.044 . . . . 0.0 111.789 167.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.32 87.93 Favored Glycine 0 C--N 1.359 1.859 0 O-C-N 123.71 0.631 . . . . 0.0 113.554 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.9 tp -54.12 -57.07 12.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.603 1.161 . . . . 0.0 110.903 173.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -72.89 -22.85 60.69 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.171 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.85 -51.66 66.14 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.021 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.51 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 t-80 -66.68 -21.95 66.09 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 118.222 0.465 . . . . 0.0 110.698 -176.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.9 mt -70.77 -57.35 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.042 0.937 . . . . 0.0 110.626 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.419 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER -71.34 -16.57 62.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.981 0.512 . . . . 0.0 111.31 -176.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -90.23 -51.15 5.59 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.161 0.985 . . . . 0.0 110.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.9 t -147.08 4.18 0.82 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.529 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 3.4 m170 . . . . . 0 N--CA 1.493 1.687 0 CA-C-N 119.181 0.9 . . . . 0.0 112.441 -178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.209 0.077 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -73.22 119.51 17.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.32 0.581 . . . . 0.0 110.631 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.1 145.47 28.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.149 0.98 . . . . 0.0 109.075 -174.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.2 t -56.04 101.47 0.26 Allowed Pre-proline 0 N--CA 1.485 1.302 0 O-C-N 123.908 0.755 . . . . 0.0 109.255 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HD2' HD11 ' A' ' 48' ' ' LEU . 40.5 Cg_endo -62.05 -1.62 2.4 Favored 'Trans proline' 0 C--N 1.375 1.921 0 C-N-CA 123.79 2.993 . . . . 0.0 116.759 -159.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 20.8 t -103.27 -31.38 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 CA-C-N 118.588 0.631 . . . . 0.0 111.23 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.532 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.2 p -125.28 131.36 53.1 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 122.985 0.514 . . . . 0.0 110.037 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.19 110.46 2.71 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -175.81 93.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -164.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 p -76.81 140.51 40.72 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.04 0.936 . . . . 0.0 112.725 -172.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -138.04 136.33 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.456 1.102 . . . . 0.0 110.512 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.97 -33.47 33.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.793 0.837 . . . . 0.0 110.226 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.4 t -91.29 140.06 30.15 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.54 0.736 . . . . 0.0 110.194 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -61.74 -48.29 81.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.658 0.783 . . . . 0.0 110.243 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.75 77.36 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.97 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.31 68.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.238 0.615 . . . . 0.0 111.104 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -70.65 -48.82 53.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.962 0.505 . . . . 0.0 110.233 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.09 -38.69 89.78 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.712 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -68.59 -26.55 65.43 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.533 0.52 . . . . 0.0 111.782 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.8 t-80 -68.91 -50.13 52.18 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HD2' ' A' ' 32' ' ' PRO . 97.1 mt -59.98 -34.11 72.85 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.996 0.918 . . . . 0.0 112.168 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -80.31 -38.06 31.44 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.808 0.843 . . . . 0.0 109.575 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.52 -71.36 0.76 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.299 0.64 . . . . 0.0 111.418 -171.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -89.9 0.54 57.0 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.285 0.634 . . . . 0.0 112.28 -166.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.532 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -140.32 26.9 2.15 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.116 0.966 . . . . 0.0 108.935 -179.392 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.14 81.57 1.28 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.218 1.007 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.24 -46.91 0.07 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.694 0.798 . . . . 0.0 110.113 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -89.14 0.85 56.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.416 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 48' ' ' LEU . 28.4 m -105.79 150.22 8.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 123.375 0.67 . . . . 0.0 110.795 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.9 m-85 -129.93 88.72 47.99 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.102 1.361 . . . . 0.0 109.46 -177.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 86.1 Cg_endo -79.58 131.84 9.6 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.18 2.586 . . . . 0.0 113.232 -178.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.0 t -69.97 107.37 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -56.08 -27.58 54.18 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.605 1.562 . . . . 0.0 114.117 -162.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.01 -19.49 31.94 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.291 0.636 . . . . 0.0 112.021 -170.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.579 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.0 p -132.51 157.46 78.24 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.85 0.86 . . . . 0.0 109.805 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.51 67.53 7.79 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.362 2.041 . . . . 0.0 111.365 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.81 94.7 3.79 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.419 1.088 . . . . 0.0 108.737 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 38.6 m -92.34 111.57 23.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.531 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.03 151.7 21.53 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -89.16 -10.99 45.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.106 0.562 . . . . 0.0 110.33 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.429 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 20.3 m -130.86 145.93 52.14 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.591 0.756 . . . . 0.0 110.578 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.7 p -69.2 -30.68 2.33 Favored Pre-proline 0 CA--C 1.571 1.767 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 75.1 Cg_exo -54.98 -51.83 9.38 Favored 'Trans proline' 0 C--N 1.402 3.374 0 CA-C-N 122.083 1.78 . . . . 0.0 111.993 170.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.89 -31.5 72.29 Favored Glycine 0 C--N 1.359 1.852 0 O-C-N 123.98 0.8 . . . . 0.0 113.509 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -56.75 -57.6 11.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.829 0.852 . . . . 0.0 110.479 172.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -68.02 -30.35 69.57 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.117 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.58 -37.22 79.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.436 0.694 . . . . 0.0 111.073 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.1 t-80 -69.37 -26.45 64.67 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.076 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.41 -64.07 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -55.88 -35.22 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.09 0.956 . . . . 0.0 112.65 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -93.47 -60.57 1.74 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.439 0.696 . . . . 0.0 112.343 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.0 t -118.61 9.05 12.1 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -161.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.579 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.561 1.375 0 C-N-CA 123.597 0.759 . . . . 0.0 111.237 174.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 18.8 m . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -71.68 128.51 36.03 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.046 0.45 . . . . 0.0 111.345 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.7 mt -90.23 141.74 28.41 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.958 0.903 . . . . 0.0 110.866 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -65.93 111.87 7.5 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 166.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' HD21 ' A' ' 48' ' ' LEU . 89.4 Cg_endo -72.8 26.3 0.29 Allowed 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 123.067 2.511 . . . . 0.0 114.939 -169.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.12 -16.78 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 C-N-CA 124.138 0.975 . . . . 0.0 110.138 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.715 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 31.1 p -147.12 141.05 25.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.287 0.635 . . . . 0.0 111.131 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.74 109.65 2.9 Favored Glycine 0 C--N 1.357 1.729 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -177.27 108.18 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -162.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 7.4 t -102.49 136.34 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.52 0.728 . . . . 0.0 111.184 -169.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.77 136.46 42.62 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.567 1.147 . . . . 0.0 110.154 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.46 75.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.849 0.86 . . . . 0.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 m -103.29 126.67 50.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -69.97 -16.03 63.13 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.327 0.651 . . . . 0.0 111.841 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -36.72 90.4 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.03 -21.27 60.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.784 0.833 . . . . 0.0 111.085 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.44 -42.19 17.24 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.154 0.982 . . . . 0.0 110.459 177.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -69.63 -33.31 72.45 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.452 1.101 . . . . 0.0 111.056 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 13.4 ptm180 -65.91 -32.79 74.5 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.7 91.97 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.8 mt -68.34 -51.35 45.47 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.728 0.643 . . . . 0.0 112.135 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 40.0 ptt180 -75.06 -20.81 59.36 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.77 -77.7 0.59 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.83 0.452 . . . . 0.0 110.781 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.32 -3.37 55.22 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.715 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -147.47 34.26 0.87 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.653 0.781 . . . . 0.0 111.613 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 73.31 8.17 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.825 0.85 . . . . 0.0 110.204 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.65 -49.54 0.16 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 110.207 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -85.46 -26.6 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.854 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.0 m -88.52 143.26 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 122.61 0.364 . . . . 0.0 110.257 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.0 m-85 -126.5 84.41 62.44 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.326 1.05 . . . . 0.0 109.606 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.4 Cg_endo -73.15 126.66 11.32 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.465 2.11 . . . . 0.0 111.493 177.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 72' ' ' LEU . 36.1 t -52.68 103.1 0.06 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.735 0.814 . . . . 0.0 109.298 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -46.07 -30.76 1.99 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -159.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.52 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 49.9 m-85 -84.23 -36.64 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 0.0 111.595 -177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.82 139.25 31.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 C-N-CA 122.951 0.5 . . . . 0.0 110.681 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -63.14 6.73 0.2 Allowed 'Trans proline' 0 N--CA 1.511 2.52 0 C-N-CA 123.99 3.127 . . . . 0.0 115.791 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.42 103.81 0.12 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.882 0.873 . . . . 0.0 110.521 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 46.5 m -91.89 117.65 29.99 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 111.184 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -99.78 168.91 9.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.354 1.061 . . . . 0.0 109.997 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -123.28 16.39 9.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.137 0.975 . . . . 0.0 109.998 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 m -147.42 145.32 29.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.916 0.886 . . . . 0.0 109.114 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -63.0 -43.83 83.25 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.859 0.863 . . . . 0.0 112.297 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.14 -25.58 72.88 Favored 'Trans proline' 0 C--N 1.393 2.912 0 CA-C-N 121.106 1.431 . . . . 0.0 112.595 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -43.44 85.26 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.517 0.511 . . . . 0.0 112.237 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 59' ' ' CYS . 45.4 tp -58.7 -50.41 74.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.916 1.286 . . . . 0.0 110.586 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -65.6 -47.2 76.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.504 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -61.73 -30.64 70.91 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.855 -167.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.452 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.9 t-80 -64.74 -40.65 95.68 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 53.9 mt -66.72 -35.95 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 124.2 1.0 . . . . 0.0 110.997 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -84.18 -36.68 22.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.899 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 53.3 tttm -91.85 -58.78 2.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.692 0.797 . . . . 0.0 111.566 -169.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 74.6 m -128.56 24.29 5.81 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.465 0.706 . . . . 0.0 112.436 -168.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.8 t-160 . . . . . 0 CA--C 1.56 1.356 0 C-N-CA 122.785 0.434 . . . . 0.0 110.781 173.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.472 0.669 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -73.73 114.86 12.47 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 45.7 mt -97.7 128.48 44.41 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.035 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 1.6 t -54.21 94.89 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.769 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -24.34 -48.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 1 C-N-CA 126.185 4.59 . . . . 0.0 116.805 -155.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.72 -50.13 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.002 -175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.95 133.86 49.99 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 122.191 -0.318 . . . . 0.0 110.564 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.95 110.38 3.41 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 172.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -154.46 121.71 5.68 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -79.93 113.38 18.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.224 0.61 . . . . 0.0 110.769 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -120.6 125.55 48.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 108.897 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.51 -36.75 52.23 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -86.28 119.23 26.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.51 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.37 -28.34 68.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.248 0.619 . . . . 0.0 111.312 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -37.26 93.64 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-O 120.985 0.214 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -23.51 61.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.413 0.685 . . . . 0.0 111.303 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.04 -44.61 68.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.792 0.837 . . . . 0.0 110.471 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.94 -40.59 91.51 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.774 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -68.36 -32.96 73.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.095 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t-80 -66.54 -26.63 67.23 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 120.934 0.397 . . . . 0.0 110.505 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.55 -64.88 0.79 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.193 171.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -59.95 -21.37 61.1 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 123.201 0.6 . . . . 0.0 112.345 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.65 -78.78 0.14 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.696 0.798 . . . . 0.0 111.088 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.05 -45.64 6.18 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.966 0.506 . . . . 0.0 111.83 -172.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -92.92 38.35 1.03 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.108 0.956 . . . . 0.0 111.685 -170.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -89.62 5.38 45.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.24 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.89 -39.44 30.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.43 -38.82 23.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.831 0.453 . . . . 0.0 111.368 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -87.2 151.69 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.345 0.403 . . . . 0.0 110.122 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.28 88.45 45.7 Favored Pre-proline 0 N--CA 1.482 1.17 0 C-N-CA 123.966 0.906 . . . . 0.0 109.84 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 146.22 49.27 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.541 2.161 . . . . 0.0 112.338 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.649 ' HG ' ' HD1' ' A' ' 61' ' ' TYR . 44.8 t -68.23 103.42 1.57 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 170.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 14.95 0.82 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -162.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.649 ' HD1' ' HG ' ' A' ' 59' ' ' CYS . 1.3 m-85 -114.12 -34.44 5.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.334 1.054 . . . . 0.0 109.065 -172.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -131.98 143.53 49.39 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.502 1.121 . . . . 0.0 108.44 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.58 87.94 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.556 2.17 . . . . 0.0 112.471 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.18 105.32 2.11 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.713 1.205 . . . . 0.0 108.711 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m -91.53 123.86 35.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.288 0.635 . . . . 0.0 110.542 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.62 151.96 24.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -81.15 -21.65 39.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.819 0.448 . . . . 0.0 111.284 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -142.64 159.98 41.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.084 0.554 . . . . 0.0 111.652 -170.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -60.82 -42.17 86.0 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.744 1.218 . . . . 0.0 112.886 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -51.07 -45.82 34.49 Favored 'Trans proline' 0 C--N 1.4 3.248 0 C-N-CA 122.182 1.921 . . . . 0.0 112.778 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.89 94.53 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.427 0.454 . . . . 0.0 112.662 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.37 -52.4 65.51 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.244 1.018 . . . . 0.0 110.176 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m -67.88 -26.93 66.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.93 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -60.73 -41.31 95.08 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 123.242 0.617 . . . . 0.0 111.641 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.76 -46.32 72.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.67 -30.42 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.686 1.194 . . . . 0.0 111.27 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.401 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER -87.55 -41.82 13.19 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.329 0.652 . . . . 0.0 112.248 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -90.81 -63.09 1.32 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.269 0.628 . . . . 0.0 112.616 -167.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.11 14.36 14.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.912 0.885 . . . . 0.0 110.773 -166.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.52 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.299 175.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 37.2 m . . . . . 0 CA--C 1.551 0.988 0 CA-C-O 121.005 0.431 . . . . 0.0 111.914 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -80.05 118.63 21.94 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.233 0.54 . . . . 0.0 110.768 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 37' ' ' SER . 43.5 mt -90.31 142.22 27.94 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.616 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 t -68.22 104.83 0.76 Allowed Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 163.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD2' HD21 ' A' ' 48' ' ' LEU . 19.6 Cg_endo -54.5 -19.06 16.61 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 C-N-CA 123.674 2.916 . . . . 0.0 115.093 -167.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 52' ' ' HIS . 6.2 t -81.51 -34.78 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 123.514 0.726 . . . . 0.0 111.045 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.67 125.03 21.85 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.652 0.781 . . . . 0.0 109.729 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.81 110.62 2.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -167.66 110.39 0.64 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -170.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . 69.0 m -71.74 141.47 49.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.86 0.864 . . . . 0.0 111.504 -177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -137.83 128.06 26.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.948 0.899 . . . . 0.0 109.599 173.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.55 29.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.273 0.629 . . . . 0.0 110.802 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.4 m -98.8 141.96 30.94 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.576 0.75 . . . . 0.0 110.076 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -62.25 -46.82 87.13 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.09 72.57 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.693 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.45 -30.62 66.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.076 0.55 . . . . 0.0 110.681 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -70.83 -47.77 57.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.083 0.553 . . . . 0.0 109.869 173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.31 -38.38 86.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.916 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -67.4 -36.06 80.53 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.221 0.325 . . . . 0.0 111.143 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.97 -24.78 62.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.3 mt -85.2 -70.56 0.58 Allowed 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.654 0.596 . . . . 0.0 111.373 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.92 -25.3 68.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -169.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.22 -62.75 1.46 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -99.19 -52.08 3.63 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.461 ' HB3' HG21 ' A' ' 33' ' ' VAL . 20.5 m170 -107.63 49.65 0.8 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.585 1.154 . . . . 0.0 110.749 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.53 -11.11 59.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 113.992 -1.458 . . . . 0.0 112.646 -174.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.53 95.48 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.078 0.951 . . . . 0.0 112.766 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.34 -12.37 37.91 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.187 0.595 . . . . 0.0 112.522 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG11 HD13 ' A' ' 48' ' ' LEU . 26.8 m -107.32 170.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 122.78 0.432 . . . . 0.0 110.557 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -130.97 85.86 53.72 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 109.37 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 59.1 Cg_endo -71.25 128.57 14.84 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.255 1.97 . . . . 0.0 111.101 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.509 ' HA ' HD12 ' A' ' 72' ' ' LEU . 40.6 t -51.12 103.2 0.05 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -43.56 -36.49 2.11 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -161.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.1 m-85 -88.6 -26.07 22.12 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.07 136.09 28.29 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.27 -176.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.49 95.1 0.12 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.08 2.52 . . . . 0.0 112.678 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.33 109.16 1.49 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.472 1.109 . . . . 0.0 108.787 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -91.2 135.58 33.68 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.39 0.614 . . . . 0.0 112.055 -174.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -122.5 125.21 45.31 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.755 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.33 8.53 5.94 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.305 0.574 . . . . 0.0 111.088 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -130.66 147.27 52.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.928 0.891 . . . . 0.0 110.447 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 16.4 m -66.2 -43.93 57.12 Favored Pre-proline 0 CA--C 1.572 1.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.86 -38.44 29.91 Favored 'Trans proline' 0 C--N 1.399 3.199 0 CA-C-N 121.743 1.658 . . . . 0.0 112.988 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.0 86.42 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.317 0.385 . . . . 0.0 113.297 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 59' ' ' CYS . 27.3 tp -50.76 -56.87 10.04 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.002 1.321 . . . . 0.0 111.414 174.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -72.1 -35.52 69.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.026 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -68.95 -20.18 64.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.273 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 28.2 t-80 -66.21 -41.44 90.12 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.386 0.994 . . . . 0.0 109.11 173.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 25.8 mt -67.69 -38.84 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.889 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.68 -34.41 58.22 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.49 -61.94 1.75 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.4 t -140.62 11.05 2.27 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -166.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 5.6 t-160 . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 37' ' ' SER . 19.7 m . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -80.34 115.17 19.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 168.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.37 135.72 37.84 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.154 0.581 . . . . 0.0 109.995 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 14.1 t -57.09 106.68 0.72 Allowed Pre-proline 0 N--CA 1.485 1.28 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.3 Cg_exo -36.01 -42.25 0.57 Allowed 'Trans proline' 0 C--N 1.382 2.311 1 C-N-CA 125.345 4.03 . . . . 0.0 116.633 -161.004 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.607 HG11 ' HG3' ' A' ' 55' ' ' GLN . 15.9 t -85.68 -31.2 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 C-N-CA 123.193 0.597 . . . . 0.0 112.129 -171.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.648 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.3 p -121.52 134.2 55.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.859 -0.526 . . . . 0.0 110.996 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.36 110.07 3.02 Favored Glycine 0 C--N 1.349 1.277 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 171.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -168.14 111.06 0.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -170.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.494 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 39.2 m -83.47 133.56 34.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 -167.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.48 143.77 43.99 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.076 1.35 . . . . 0.0 108.216 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.88 -48.23 13.82 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.174 0.512 . . . . 0.0 109.658 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 m -81.83 136.55 35.38 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.135 0.974 . . . . 0.0 110.512 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -75.72 -22.92 56.12 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.201 0.6 . . . . 0.0 110.883 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.98 -33.8 85.0 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.22 59.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.55 0.74 . . . . 0.0 110.66 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.04 -52.78 63.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.338 0.655 . . . . 0.0 110.586 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -15.78 59.03 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.724 -176.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.31 85.45 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 122.422 0.289 . . . . 0.0 110.545 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.6 t-80 -71.06 -22.61 62.1 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 117.537 0.153 . . . . 0.0 110.832 -177.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HB3' HG21 ' A' ' 56' ' ' VAL . 93.7 mt -67.51 -66.26 0.58 Allowed 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.847 0.717 . . . . 0.0 109.676 175.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -29.52 60.74 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.04 -67.96 0.68 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.606 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.53 -34.93 5.4 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -168.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.648 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -98.4 23.73 8.13 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.581 0.752 . . . . 0.0 111.721 -175.344 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.86 -9.47 59.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.458 1.103 . . . . 0.0 111.195 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.82 -24.88 64.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.571 0.748 . . . . 0.0 110.544 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.607 ' HG3' HG11 ' A' ' 33' ' ' VAL . 15.3 mm-40 -98.12 -45.81 6.09 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.762 0.825 . . . . 0.0 111.052 -177.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 48' ' ' LEU . 33.5 m -90.33 152.18 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.502 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.7 m-85 -125.91 85.93 58.53 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.91 0.884 . . . . 0.0 110.681 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 72.3 Cg_endo -74.93 130.09 13.02 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.77 2.314 . . . . 0.0 112.335 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 7.1 t -68.89 101.66 1.41 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -59.38 -20.46 54.96 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 125.1 1.36 . . . . 0.0 114.269 -160.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.37 -22.18 52.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.217 1.007 . . . . 0.0 110.788 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.483 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.5 p -132.53 161.14 65.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.689 1.196 . . . . 0.0 109.724 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.6 21.06 0.58 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.342 2.028 . . . . 0.0 114.417 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.2 101.28 9.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.921 0.888 . . . . 0.0 109.815 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 83.7 m -91.91 114.94 27.62 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.982 178.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.35 156.6 17.64 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -98.56 -7.41 28.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.322 0.649 . . . . 0.0 109.989 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 18.9 m -128.93 145.24 51.28 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.89 0.876 . . . . 0.0 110.973 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -66.04 -33.96 7.9 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.573 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 74.5 Cg_exo -55.78 -45.95 35.24 Favored 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 121.964 1.776 . . . . 0.0 112.237 169.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.441 ' HA2' ' HD3' ' A' ' 74' ' ' ARG . . . -60.05 -38.99 95.12 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 124.186 0.929 . . . . 0.0 112.832 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 57' ' ' PHE . 41.9 tp -54.35 -55.63 26.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.482 1.113 . . . . 0.0 110.377 171.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -61.25 -36.23 79.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.46 1.104 . . . . 0.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 64.7 mtp85 -59.64 -37.37 78.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.877 0.871 . . . . 0.0 111.646 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.589 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -73.5 -46.3 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.217 0.323 . . . . 0.0 110.249 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.47 -23.35 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 123.633 0.583 . . . . 0.0 111.343 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.59 -58.57 2.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.496 0.718 . . . . 0.0 110.967 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -91.33 -63.2 1.29 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.611 0.596 . . . . 0.0 112.611 -167.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.1 m -96.7 -0.67 47.97 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -166.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.483 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.4 m170 . . . . . 0 CA--C 1.552 1.026 0 C-N-CA 124.688 1.195 . . . . 0.0 110.174 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.652 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 57.8 m . . . . . 0 C--O 1.246 0.905 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.08 111.69 7.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.76 137.23 33.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.902 0.481 . . . . 0.0 110.144 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.3 t -75.48 99.93 0.35 Allowed Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 164.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.1 Cg_endo -48.19 -29.1 12.04 Favored 'Trans proline' 0 C--N 1.381 2.263 0 C-N-CA 123.978 3.118 . . . . 0.0 115.661 -165.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.98 -18.58 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.552 0 C-N-CA 123.552 0.741 . . . . 0.0 112.116 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.659 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 30.8 p -141.14 132.22 26.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.98 109.85 2.82 Favored Glycine 0 C--N 1.356 1.646 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -175.75 101.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -159.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 60.0 p -93.24 130.57 38.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 0.0 111.544 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.13 145.01 47.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.849 1.259 . . . . 0.0 110.009 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 -33.61 70.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.813 0.445 . . . . 0.0 111.4 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -116.24 152.72 33.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.079 0.552 . . . . 0.0 111.176 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -71.92 -21.99 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.769 0.828 . . . . 0.0 111.487 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.71 -39.71 47.7 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.67 0.606 . . . . 0.0 112.379 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.61 67.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.598 0.359 . . . . 0.0 110.445 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.64 -59.66 3.71 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.716 0.807 . . . . 0.0 111.678 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -71.84 -19.45 61.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.977 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -29.43 62.09 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.189 0.305 . . . . 0.0 111.146 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t-80 -68.9 -40.81 78.94 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 56' ' ' VAL . 95.7 mt -64.66 -33.85 76.92 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.555 175.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -75.52 -40.47 56.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.574 0.75 . . . . 0.0 111.152 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.7 mt -105.64 -68.58 0.86 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.543 0.737 . . . . 0.0 111.459 -168.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.44 -4.67 57.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.404 0.682 . . . . 0.0 112.419 -169.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.659 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 1.7 m170 -139.57 37.69 2.03 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.438 1.095 . . . . 0.0 109.269 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -23.51 65.97 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.186 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.14 -5.39 31.34 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.762 0.825 . . . . 0.0 112.994 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -117.41 8.12 12.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.786 0.834 . . . . 0.0 111.872 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.2 m -129.01 158.52 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.743 0.782 . . . . 0.0 111.66 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.587 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.9 m-85 -131.41 88.77 42.8 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 125.22 1.408 . . . . 0.0 108.734 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.37 139.91 23.88 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.989 2.46 . . . . 0.0 112.632 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 34.8 t -68.41 104.59 1.93 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.233 0.613 . . . . 0.0 109.389 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -38.58 -48.45 1.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.784 2.034 . . . . 0.0 116.445 -161.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -73.65 -39.93 64.11 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -171.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 30.9 p -107.7 152.19 41.41 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 122.994 0.518 . . . . 0.0 111.115 -172.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.3 80.01 1.07 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.271 1.98 . . . . 0.0 110.698 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 93.19 2.54 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.45 1.1 . . . . 0.0 108.2 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -92.65 115.79 28.42 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.219 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.43 136.71 40.82 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.766 0.826 . . . . 0.0 109.081 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HA ' HG12 ' A' ' 56' ' ' VAL . 57.8 t80 -77.69 -10.8 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.589 0.356 . . . . 0.0 110.892 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.3 m -125.75 144.86 50.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.375 0.67 . . . . 0.0 110.712 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 11.3 t -67.21 -39.37 20.62 Favored Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 124.371 1.068 . . . . 0.0 112.208 177.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 Cg_endo -61.27 -26.8 82.46 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.642 1.561 . . . . 0.0 112.693 169.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.28 -38.46 62.84 Favored Glycine 0 C--N 1.355 1.584 0 O-C-N 123.78 0.675 . . . . 0.0 112.411 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 57' ' ' PHE . 25.2 tp -54.23 -49.32 69.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.14 0.976 . . . . 0.0 110.305 170.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 m -61.22 -26.93 68.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.855 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 70' ' ' PRO . 3.7 mmp_? -65.16 -50.67 65.08 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.733 0.413 . . . . 0.0 112.089 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.5 t-80 -76.71 -19.5 57.62 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.802 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mt -75.31 -66.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -54.18 -34.18 59.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.874 0.87 . . . . 0.0 112.807 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -90.52 -60.07 2.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 122.847 0.459 . . . . 0.0 111.649 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -114.57 -7.97 12.76 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -160.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.471 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.5 m80 . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 123.537 0.735 . . . . 0.0 111.091 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.864 0.364 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.99 119.0 24.4 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.08 150.88 22.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.513 0.325 . . . . 0.0 110.732 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HA ' ' HG3' ' A' ' 44' ' ' GLN . 10.9 t -64.17 109.73 3.07 Favored Pre-proline 0 N--CA 1.481 1.088 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 165.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HD2' HD21 ' A' ' 48' ' ' LEU . 63.6 Cg_exo -44.13 -22.08 0.47 Allowed 'Trans proline' 0 N--CA 1.512 2.602 0 C-N-CA 125.097 3.865 . . . . 0.0 117.488 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -93.06 -32.33 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.843 0.457 . . . . 0.0 111.31 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.8 p -131.25 131.44 43.91 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.054 0.541 . . . . 0.0 110.978 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.34 110.11 2.72 Favored Glycine 0 C--N 1.358 1.756 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 172.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -165.83 101.5 0.67 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -163.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 p -75.26 116.71 16.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.87 0.868 . . . . 0.0 112.434 -166.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -123.41 133.76 54.05 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.158 0.983 . . . . 0.0 109.973 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.58 -40.85 80.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.758 0.823 . . . . 0.0 111.186 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -120.78 163.23 18.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.397 0.679 . . . . 0.0 110.984 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -71.78 -38.29 70.33 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.608 -170.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.52 -28.92 72.07 Favored Glycine 0 N--CA 1.475 1.298 0 O-C-N 123.293 0.37 . . . . 0.0 113.511 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.588 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . . . -74.99 -33.14 61.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.437 0.695 . . . . 0.0 111.086 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 31' ' ' CYS . 13.8 tt0 -63.87 -51.52 64.22 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.288 0.635 . . . . 0.0 110.508 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.3 -35.68 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.28 -173.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 43' ' ' ALA . 9.6 ptp180 -69.64 -39.7 76.95 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.59 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -66.54 -26.93 67.38 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 118.72 0.691 . . . . 0.0 110.451 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.521 HD21 ' HD2' ' A' ' 32' ' ' PRO . 95.9 mt -72.0 -67.28 0.55 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.791 0.682 . . . . 0.0 110.416 175.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -68.29 -19.67 64.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.02 -63.21 1.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.764 0.425 . . . . 0.0 110.887 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.6 mt -105.56 -52.36 2.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.387 0.675 . . . . 0.0 112.183 -169.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.591 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 9.5 m170 -91.13 38.48 0.96 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.406 1.083 . . . . 0.0 111.484 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -80.19 -4.17 51.97 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.202 1.401 . . . . 0.0 111.742 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.76 81.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.17 0.988 . . . . 0.0 111.335 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -104.14 -3.11 24.87 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.178 0.591 . . . . 0.0 112.324 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 53' ' ' ALA . 34.2 m -126.93 142.24 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 72' ' ' LEU . 69.0 m-85 -133.1 87.16 40.22 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.649 1.18 . . . . 0.0 109.361 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 91.5 Cg_endo -78.4 128.58 8.91 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 122.646 2.231 . . . . 0.0 113.13 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 2.1 t -64.34 102.52 0.54 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 171.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.85 -30.39 63.78 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.505 1.522 . . . . 0.0 114.987 -155.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -80.1 -7.21 58.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.156 0.582 . . . . 0.0 111.574 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 28.7 p -135.89 154.33 77.71 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.305 1.042 . . . . 0.0 110.778 171.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 77.06 2.53 Favored 'Trans proline' 0 CA--C 1.56 1.809 0 C-N-CA 122.072 1.848 . . . . 0.0 111.117 163.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -141.43 102.66 4.25 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.335 1.054 . . . . 0.0 108.325 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 31.8 m -96.89 132.0 43.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.888 0.875 . . . . 0.0 110.972 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.15 130.44 52.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.878 0.871 . . . . 0.0 110.073 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -83.4 20.03 1.42 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.541 0.736 . . . . 0.0 111.183 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 70' ' ' PRO . 52.2 p -151.61 143.6 23.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.118 0.967 . . . . 0.0 109.017 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 p -66.74 -31.88 4.53 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 117.817 -1.087 . . . . 0.0 113.213 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 68' ' ' SER . 88.9 Cg_exo -52.44 -49.16 18.4 Favored 'Trans proline' 0 C--N 1.407 3.616 0 C-N-CA 122.163 1.908 . . . . 0.0 112.775 167.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.35 97.9 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 123.394 0.434 . . . . 0.0 112.737 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -54.29 -57.93 9.33 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.588 1.155 . . . . 0.0 110.95 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -73.1 -25.81 61.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.474 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.68 -38.0 80.01 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.846 0.293 . . . . 0.0 111.186 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.4 t-80 -75.48 -17.86 60.01 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.662 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.0 mt -80.7 -65.97 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.92 -36.35 48.72 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.452 1.101 . . . . 0.0 113.199 -176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -92.67 -59.75 1.99 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.057 0.543 . . . . 0.0 111.561 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.6 m -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -162.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 62' ' ' CYS . 14.4 m80 . . . . . 0 N--CA 1.495 1.816 0 C-N-CA 123.54 0.736 . . . . 0.0 112.291 -178.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.6 m80 -139.25 117.0 11.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.567 1.147 . . . . 0.0 108.273 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.7 mt -106.85 139.43 41.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.251 0.62 . . . . 0.0 110.207 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 40.7 t -63.27 105.48 0.67 Allowed Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' A' ' 48' ' ' LEU . 92.5 Cg_exo -48.04 -29.86 12.99 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.229 3.286 . . . . 0.0 116.067 -169.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' A' ' 55' ' ' GLN . 10.3 t -86.24 -17.15 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 C-N-CA 122.926 0.491 . . . . 0.0 112.311 -172.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.613 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.6 p -145.52 135.77 23.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.814 -0.554 . . . . 0.0 111.083 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.97 110.92 3.77 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 173.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -162.65 108.61 1.2 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -171.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -74.73 114.02 12.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.976 0.51 . . . . 0.0 111.108 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 29' ' ' HIS . 69.5 m-85 -115.08 142.37 46.74 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.23 28.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.631 0.772 . . . . 0.0 109.8 172.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -97.91 150.65 21.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 0.0 111.535 -176.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.73 -34.04 66.81 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.185 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.11 97.53 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.3 71.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 111.134 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.69 -50.61 71.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.879 0.872 . . . . 0.0 111.161 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.44 -35.61 73.47 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.973 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -69.29 -24.77 64.0 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.309 0.38 . . . . 0.0 111.608 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.1 t-80 -69.95 -41.15 74.93 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HB3' HG11 ' A' ' 56' ' ' VAL . 91.3 mt -69.81 -31.1 68.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.046 0.939 . . . . 0.0 111.559 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -82.51 -37.79 24.74 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 110.605 -174.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -100.97 -72.15 0.69 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.116 0.567 . . . . 0.0 110.367 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.44 -12.42 46.19 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -163.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.613 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -134.09 32.06 3.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.364 1.066 . . . . 0.0 109.846 -176.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -75.02 -26.4 59.48 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.233 1.013 . . . . 0.0 112.559 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.15 72.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 0.0 111.0 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' A' ' 33' ' ' VAL . 14.4 mm100 -82.15 -26.98 32.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.72 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 48' ' ' LEU . 20.2 m -93.61 153.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.492 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.07 84.14 49.46 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.424 1.09 . . . . 0.0 110.026 -175.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 61.4 Cg_endo -75.81 123.07 7.18 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.51 2.14 . . . . 0.0 111.598 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 12.8 t -58.78 102.99 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.005 . . . . 0.0 110.225 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -17.05 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 127.808 2.443 . . . . 0.0 116.311 -164.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.491 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 3.7 m-85 -83.03 -17.54 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.94 -161.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -130.65 144.68 54.39 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 123.262 0.625 . . . . 0.0 110.05 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.85 82.6 1.22 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.429 2.086 . . . . 0.0 111.714 173.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.98 99.2 3.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.489 1.116 . . . . 0.0 108.22 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 64.1 m -92.77 137.12 32.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.462 0.705 . . . . 0.0 111.126 -173.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.39 144.0 50.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.394 1.477 . . . . 0.0 108.814 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -96.15 10.03 39.0 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.885 0.474 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.3 m -131.18 140.65 49.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.587 0.755 . . . . 0.0 109.91 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -65.46 -41.64 51.72 Favored Pre-proline 0 CA--C 1.567 1.607 0 C-N-CA 124.237 1.015 . . . . 0.0 112.719 -177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 28.0 Cg_exo -64.53 -42.51 16.24 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 121.855 1.704 . . . . 0.0 111.389 171.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.21 -34.24 53.13 Favored Glycine 0 C--N 1.363 2.055 0 O-C-N 124.39 1.056 . . . . 0.0 113.43 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.39 -53.0 50.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.772 1.229 . . . . 0.0 111.521 173.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.7 m -79.28 -24.13 43.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.302 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.6 mtt-85 -57.61 -30.1 65.05 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.949 0.499 . . . . 0.0 111.407 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.1 t-80 -67.68 -44.47 77.71 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 45.5 mt -67.15 -24.16 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.232 1.013 . . . . 0.0 110.941 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -84.45 -43.03 15.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.331 0.653 . . . . 0.0 110.619 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 87.7 tttt -93.07 -63.55 1.2 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -167.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.502 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 77.0 m -119.81 24.31 10.63 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.823 0.849 . . . . 0.0 111.702 -169.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.714 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.0 t-160 . . . . . 0 CA--C 1.563 1.476 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 49.6 t . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 121.386 0.612 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -136.63 118.35 15.04 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.706 1.202 . . . . 0.0 108.511 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' SER . 50.0 mt -117.66 127.49 54.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.772 0.829 . . . . 0.0 109.47 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.83 108.66 1.97 Allowed Pre-proline 0 N--CA 1.484 1.227 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.7 Cg_endo -61.61 -1.04 1.76 Allowed 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 123.594 2.863 . . . . 0.0 116.071 -165.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.92 -16.13 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 C-N-CA 123.479 0.712 . . . . 0.0 111.537 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.581 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 17.5 p -154.77 163.67 39.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.007 0.523 . . . . 0.0 111.368 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.03 107.97 2.35 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.0 81.43 1.43 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.935 1.294 . . . . 0.0 108.371 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.422 ' HA ' HD23 ' A' ' 30' ' ' LEU . 13.3 p -80.44 116.54 20.55 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.172 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.49 143.12 43.63 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.797 0.839 . . . . 0.0 109.804 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . . . -74.97 -31.87 61.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.345 0.658 . . . . 0.0 110.092 171.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 m -90.13 145.14 25.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.899 0.879 . . . . 0.0 111.893 -177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -72.1 -48.59 42.76 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.547 0.739 . . . . 0.0 110.859 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.77 92.0 Favored Glycine 0 C--N 1.347 1.188 0 O-C-N 123.656 0.598 . . . . 0.0 112.997 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -17.67 63.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.808 0.843 . . . . 0.0 111.84 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.89 -55.1 4.25 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.627 0.771 . . . . 0.0 109.061 172.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.64 -28.17 68.35 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.267 1.027 . . . . 0.0 112.608 -171.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 5.2 ptp180 -60.3 -39.5 87.17 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.95 -32.78 74.66 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 117.803 0.274 . . . . 0.0 110.268 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.9 mt -71.97 -42.97 65.89 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 123.971 0.795 . . . . 0.0 112.023 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -79.34 -25.65 42.26 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 118.374 0.534 . . . . 0.0 111.78 -176.288 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.73 -75.46 0.48 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.705 0.402 . . . . 0.0 111.235 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -96.62 -24.77 15.85 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -166.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.581 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 3.3 m170 -114.98 38.88 3.03 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.762 0.825 . . . . 0.0 110.457 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -82.47 -2.99 55.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.385 -1.28 . . . . 0.0 113.124 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.61 -27.34 51.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.101 0.561 . . . . 0.0 111.001 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.0 -32.88 15.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.721 0.808 . . . . 0.0 111.679 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 35.8 m -92.61 158.61 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 171.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' A' ' 72' ' ' LEU . 92.6 m-85 -131.99 89.92 36.98 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.118 0.967 . . . . 0.0 109.266 -173.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.13 121.52 8.34 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.992 2.462 . . . . 0.0 112.886 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.14 120.51 9.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.69 0.796 . . . . 0.0 109.165 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.48 -17.6 62.9 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -160.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -102.69 -24.67 13.73 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -132.93 135.04 25.24 Favored Pre-proline 0 N--CA 1.495 1.795 0 CA-C-O 118.526 -0.749 . . . . 0.0 111.1 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -60.85 93.76 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.003 2.469 . . . . 0.0 111.5 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.05 105.15 1.74 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.521 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.441 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 17.1 p -93.07 125.18 37.54 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 122.828 0.451 . . . . 0.0 111.319 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -110.39 125.42 53.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.51 1.124 . . . . 0.0 108.612 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.43 -1.26 20.34 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.625 0.37 . . . . 0.0 111.499 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.5 m -130.8 136.1 48.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.972 0.909 . . . . 0.0 109.719 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -67.59 -30.87 3.15 Favored Pre-proline 0 CA--C 1.565 1.545 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 51.4 Cg_exo -57.12 -37.88 97.03 Favored 'Trans proline' 0 C--N 1.402 3.367 0 CA-C-N 122.24 1.836 . . . . 0.0 112.088 170.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.34 -37.03 70.45 Favored Glycine 0 C--N 1.357 1.699 0 O-C-N 123.8 0.687 . . . . 0.0 113.071 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' PHE . 23.1 tp -52.04 -56.81 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.183 0.993 . . . . 0.0 110.635 171.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -68.42 -35.23 77.34 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.029 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 1.4 ttm180 -62.58 -30.18 71.14 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.919 0.888 . . . . 0.0 111.71 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -65.84 -52.48 50.1 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 174.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.55 -22.85 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.255 1.022 . . . . 0.0 111.429 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.53 -56.82 3.42 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.577 0.751 . . . . 0.0 111.506 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -94.02 -61.85 1.46 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.469 0.708 . . . . 0.0 111.478 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.8 t -95.46 11.29 33.43 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.928 0.891 . . . . 0.0 112.445 -164.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.556 1.192 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 178.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.6 m . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -147.0 129.6 16.0 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.8 mt -89.16 146.68 24.63 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.175 0.59 . . . . 0.0 109.882 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 12.6 t -66.42 96.18 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.981 172.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.0 Cg_exo -23.95 -56.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.384 2.404 1 C-N-CA 125.985 4.456 . . . . 0.0 117.176 -157.17 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 55' ' ' GLN . 35.8 t -79.15 -25.52 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 122.953 0.501 . . . . 0.0 112.194 -169.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 20.5 p -120.17 123.28 42.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.765 -0.584 . . . . 0.0 109.471 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 109.95 2.47 Favored Glycine 0 C--N 1.351 1.399 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -162.2 102.71 1.11 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 120.1 14.58 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.232 0.957 . . . . 0.0 112.364 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.57 131.51 49.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.048 0.939 . . . . 0.0 109.62 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -20.21 62.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.932 0.893 . . . . 0.0 112.174 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -141.44 153.56 45.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.44 0.696 . . . . 0.0 110.162 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.45 -19.75 64.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 123.597 0.759 . . . . 0.0 110.885 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.23 87.19 Favored Glycine 0 C--N 1.349 1.3 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.75 60.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.638 0.775 . . . . 0.0 111.494 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.46 -57.86 9.68 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.693 0.797 . . . . 0.0 110.228 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -61.74 -26.23 67.93 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.468 1.107 . . . . 0.0 111.308 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.86 -44.51 89.49 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.968 0.792 . . . . 0.0 111.259 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.4 t-80 -71.34 -36.08 71.41 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.436 0.562 . . . . 0.0 109.901 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' HB3' HG11 ' A' ' 56' ' ' VAL . 93.5 mt -65.81 -32.35 73.84 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.061 0.851 . . . . 0.0 112.288 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -84.41 -32.02 24.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 122.021 -0.424 . . . . 0.0 111.583 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.39 -78.2 0.34 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.532 0.333 . . . . 0.0 111.281 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -102.3 17.54 23.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.173 0.589 . . . . 0.0 111.695 -169.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.487 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -147.97 27.0 0.98 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.807 0.443 . . . . 0.0 111.296 178.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.88 60.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.989 0.916 . . . . 0.0 112.012 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -14.39 62.45 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.553 0.741 . . . . 0.0 111.76 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' HG21 ' A' ' 33' ' ' VAL . 27.0 mm-40 -107.44 -12.71 15.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.807 0.843 . . . . 0.0 112.862 -174.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' A' ' 48' ' ' LEU . 31.7 m -110.0 144.78 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 120.95 0.405 . . . . 0.0 110.524 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.2 m-85 -133.37 83.47 49.7 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 125.005 1.322 . . . . 0.0 109.37 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.2 Cg_endo -75.53 118.04 5.0 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.578 2.185 . . . . 0.0 112.117 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 47.2 t -70.55 103.45 2.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 171.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -50.77 -48.31 59.41 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.919 1.687 . . . . 0.0 115.474 -153.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 19.3 m-85 -82.39 -5.51 58.69 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.804 0.442 . . . . 0.0 111.699 -166.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.98 157.28 78.52 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.18 42.17 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.578 2.185 . . . . 0.0 113.118 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.22 92.08 3.91 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.24 1.016 . . . . 0.0 109.366 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 48.9 m -93.2 113.42 25.64 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -90.73 168.39 11.79 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 109.343 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -116.03 -4.67 11.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.203 0.601 . . . . 0.0 109.706 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -129.57 136.39 49.74 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.849 0.86 . . . . 0.0 109.609 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 p -65.76 -30.47 3.91 Favored Pre-proline 0 CA--C 1.571 1.764 0 CA-C-O 117.373 -1.298 . . . . 0.0 113.958 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.33 -47.2 27.1 Favored 'Trans proline' 0 C--N 1.407 3.642 0 C-N-CA 122.141 1.894 . . . . 0.0 112.946 167.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.01 93.99 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.009 0.193 . . . . 0.0 112.762 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 57' ' ' PHE . 66.6 tp -57.55 -58.96 6.02 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.867 0.867 . . . . 0.0 110.795 176.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -66.91 -33.34 75.37 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.728 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -70.86 -24.35 62.5 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.465 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.9 t-80 -71.93 -56.85 4.96 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.452 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.9 mt -50.78 -36.97 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 124.846 1.259 . . . . 0.0 112.158 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -83.97 -57.74 3.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.233 0.613 . . . . 0.0 111.482 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -89.6 -59.8 2.11 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.965 0.506 . . . . 0.0 112.347 -166.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -96.43 10.23 38.86 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.921 0.488 . . . . 0.0 112.128 -173.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.0 OUTLIER . . . . . 0 CA--C 1.561 1.4 0 C-N-CA 124.123 0.969 . . . . 0.0 108.626 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 90.19 32.68 9.45 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.505 0.503 . . . . 0.0 112.992 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.4 p80 -75.45 107.51 7.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -145.65 146.46 31.32 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.783 0.433 . . . . 0.0 111.193 -176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -105.46 147.66 28.04 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.618 0.767 . . . . 0.0 109.984 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -100.45 42.33 1.12 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.857 0.863 . . . . 0.0 109.838 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -66.65 89.71 0.16 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.516 -173.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -110.68 24.11 13.36 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 124.34 1.056 . . . . 0.0 108.275 176.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 m -69.23 102.0 1.6 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 124.514 1.126 . . . . 0.0 110.698 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -138.57 61.61 1.57 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 122.056 0.932 . . . . 0.0 108.518 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.1 mtm -81.51 122.7 27.88 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.562 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.91 -114.47 0.62 Allowed Glycine 0 N--CA 1.461 0.352 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 57.56 82.18 0.13 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.317 1.047 . . . . 0.0 111.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.5 104.78 0.18 Allowed Glycine 0 C--N 1.343 0.942 0 CA-C-O 119.996 -0.336 . . . . 0.0 112.544 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -136.14 123.13 21.44 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 167.91 174.17 36.58 Favored Glycine 0 C--N 1.339 0.748 0 O-C-N 123.279 0.362 . . . . 0.0 112.585 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.21 139.18 13.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.752 0.821 . . . . 0.0 109.465 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.33 -156.29 26.91 Favored Glycine 0 C--N 1.344 0.99 0 O-C-N 123.145 0.278 . . . . 0.0 112.45 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.31 -175.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 123.794 0.838 . . . . 0.0 110.982 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' H ' HD23 ' A' ' 20' ' ' LEU . 2.1 pt? -133.02 126.86 32.83 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.3 0.64 . . . . 0.0 110.006 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.68 -5.84 81.02 Favored Glycine 0 C--N 1.348 1.224 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.943 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.0 tp -151.27 154.46 36.83 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 m -51.83 -46.45 64.35 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.435 0.694 . . . . 0.0 112.282 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 60.73 -177.07 0.11 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.48 1.112 . . . . 0.0 112.189 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.7 t 63.87 -179.1 0.16 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 124.459 1.103 . . . . 0.0 111.375 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.94 166.37 31.96 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 123.147 0.579 . . . . 0.0 109.892 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.45 77.55 0.77 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.146 174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -111.1 -49.47 3.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.182 0.993 . . . . 0.0 108.45 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -128.99 124.94 36.31 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.728 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 65.8 mt -124.85 126.69 45.98 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 t -61.83 102.69 0.33 Allowed Pre-proline 0 N--CA 1.484 1.26 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 169.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.557 ' HD2' HD21 ' A' ' 48' ' ' LEU . 85.1 Cg_exo -49.57 -17.45 1.86 Allowed 'Trans proline' 0 C--N 1.383 2.344 0 C-N-CA 124.463 3.442 . . . . 0.0 117.125 -165.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.29 -26.07 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.079 0 C-N-CA 122.716 0.406 . . . . 0.0 111.603 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.0 p -134.18 117.91 17.06 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.132 0.573 . . . . 0.0 110.016 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.01 110.52 3.54 Favored Glycine 0 C--N 1.351 1.376 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -158.72 119.38 3.29 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -172.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.2 m -71.21 115.81 10.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.241 0.616 . . . . 0.0 111.698 -173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -114.77 128.81 56.51 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.651 0.78 . . . . 0.0 108.921 172.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.75 -46.52 21.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 171.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.9 m -78.29 140.01 38.85 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.444 176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -78.2 -35.31 48.74 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.275 0.63 . . . . 0.0 110.633 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.27 -23.95 68.59 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.78 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.35 -32.28 68.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.585 0.754 . . . . 0.0 111.117 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -67.64 -49.25 63.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.838 0.855 . . . . 0.0 110.578 173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.87 -40.91 95.87 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.577 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -68.56 -34.81 76.48 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 123.22 0.325 . . . . 0.0 110.49 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -69.48 -22.59 63.6 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.567 0.222 . . . . 0.0 110.647 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD21 ' HD2' ' A' ' 32' ' ' PRO . 91.2 mt -79.84 -66.62 0.85 Allowed 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.988 173.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -62.55 -21.04 65.27 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -167.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -89.49 -65.42 1.02 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.288 0.635 . . . . 0.0 110.924 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -96.26 -60.06 1.7 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.038 0.535 . . . . 0.0 111.411 -170.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -92.65 47.35 1.29 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.057 0.943 . . . . 0.0 111.738 -171.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.13 -5.09 53.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 114.206 -1.361 . . . . 0.0 112.451 -175.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.68 -34.51 75.8 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.678 0.391 . . . . 0.0 111.455 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -87.13 -30.96 20.69 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.569 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.51 140.42 19.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.069 0.547 . . . . 0.0 110.468 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -113.84 95.76 38.72 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 123.939 0.896 . . . . 0.0 110.725 -173.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 87.5 Cg_endo -79.88 121.07 4.42 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.991 2.461 . . . . 0.0 112.807 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 6.4 t -67.93 101.61 1.13 Allowed 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -55.08 -27.02 41.8 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 -155.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -76.62 -20.35 56.83 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 122.828 0.451 . . . . 0.0 111.572 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 30.7 p -133.5 154.72 80.95 Favored Pre-proline 0 N--CA 1.485 1.314 0 C-N-CA 124.202 1.001 . . . . 0.0 109.695 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -74.12 4.55 4.19 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 122.315 2.01 . . . . 0.0 113.738 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.54 95.89 0.11 Allowed 'General case' 0 C--O 1.25 1.084 0 C-N-CA 123.381 0.672 . . . . 0.0 110.228 173.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 29.4 m -93.23 123.49 36.54 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.174 -177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -91.04 157.69 17.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.441 0.696 . . . . 0.0 110.507 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 32' ' ' PRO . 45.8 m-85 -109.58 22.18 16.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.029 0.932 . . . . 0.0 109.525 178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 16.6 t -155.18 150.55 27.18 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.679 0.792 . . . . 0.0 109.607 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.4 t -70.57 -48.4 16.94 Favored Pre-proline 0 CA--C 1.562 1.41 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.475 -175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.446 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 26.3 Cg_endo -59.27 -40.77 65.56 Favored 'Trans proline' 0 C--N 1.4 3.238 0 C-N-CA 122.122 1.882 . . . . 0.0 112.383 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.16 -31.8 59.45 Favored Glycine 0 C--N 1.356 1.639 0 O-C-N 123.362 0.414 . . . . 0.0 113.616 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 63.3 tp -53.9 -59.41 4.67 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.537 1.135 . . . . 0.0 111.606 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.1 t -72.75 -27.58 62.11 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.121 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 64.5 mtp180 -64.53 -23.81 67.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.315 0.384 . . . . 0.0 112.029 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.07 -50.47 27.97 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.03 -29.48 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.977 0.911 . . . . 0.0 111.584 -177.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -81.75 -50.64 9.02 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.161 0.584 . . . . 0.0 110.774 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -92.96 -62.7 1.33 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.8 t -102.28 7.93 40.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.574 0.75 . . . . 0.0 112.599 -164.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.11 49.83 0.51 Allowed Pre-proline 0 CA--C 1.558 1.273 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -88.14 10.4 3.43 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 123.305 2.67 . . . . 0.0 114.036 -164.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 54.1 p -99.83 -14.37 18.82 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.937 0.895 . . . . 0.0 110.567 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -101.86 92.42 4.81 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 123.785 0.834 . . . . 0.0 111.498 -167.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -127.87 31.12 5.17 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 124.233 1.013 . . . . 0.0 109.971 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 119.067 -0.492 . . . . 0.0 110.087 -178.079 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtm . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -167.23 28.23 0.17 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 113.823 0.289 . . . . 0.0 113.823 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -84.88 114.0 21.8 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 173.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -79.7 -178.09 6.2 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.989 0.516 . . . . 0.0 110.174 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -146.32 128.97 16.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.711 0.404 . . . . 0.0 110.587 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -85.46 106.11 16.56 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -67.51 96.42 0.52 Allowed 'General case' 0 C--O 1.241 0.624 0 C-N-CA 122.9 0.48 . . . . 0.0 110.152 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -75.82 105.49 6.89 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 t -75.82 176.13 8.08 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 123.362 0.665 . . . . 0.0 110.302 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -140.63 142.79 34.96 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.98 0.912 . . . . 0.0 108.565 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.7 mtt -67.38 113.22 5.08 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.56 41.71 2.86 Favored Glycine 0 C--N 1.35 1.343 0 C-N-CA 123.115 0.388 . . . . 0.0 113.571 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.48 134.33 35.21 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.282 1.033 . . . . 0.0 108.962 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -147.19 -135.03 2.62 Favored Glycine 0 C--N 1.336 0.559 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -163.58 -179.18 6.27 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.543 0.737 . . . . 0.0 109.47 -175.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.85 89.79 0.07 OUTLIER Glycine 0 C--N 1.345 1.071 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.06 109.65 10.64 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 109.955 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.17 73.25 2.29 Favored Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.7 148.47 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 123.539 0.736 . . . . 0.0 112.197 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 mt -103.47 104.91 15.04 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.403 -175.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -162.49 31.25 0.3 Allowed Glycine 0 C--N 1.347 1.16 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.01 -26.05 63.88 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.239 0.616 . . . . 0.0 111.969 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.5 p -115.96 100.64 8.12 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.937 0.895 . . . . 0.0 109.401 176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -153.54 138.64 17.34 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 123.607 0.763 . . . . 0.0 109.824 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 t -140.71 28.38 1.97 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.129 0.972 . . . . 0.0 108.867 176.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.18 178.27 0.21 Allowed 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.175 1.39 . . . . 0.0 111.51 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -157.83 -71.89 0.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.7 m -147.9 -70.24 0.23 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.413 1.085 . . . . 0.0 108.147 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -144.41 125.52 14.55 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.63 1.172 . . . . 0.0 108.089 172.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.4 mt -112.5 141.98 45.61 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.17 0.588 . . . . 0.0 110.386 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 35.8 t -83.01 95.56 0.29 Allowed Pre-proline 0 N--CA 1.478 0.936 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 168.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD2' HD21 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -53.36 -16.65 7.59 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 123.811 3.007 . . . . 0.0 116.322 -164.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 55' ' ' GLN . 10.1 t -82.83 -31.41 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.245 0.618 . . . . 0.0 111.303 -178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 p -138.14 147.31 43.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.46 0.704 . . . . 0.0 110.803 -176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.3 109.5 2.92 Favored Glycine 0 C--N 1.347 1.163 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -168.7 108.19 0.48 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -166.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -108.57 134.88 50.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.622 0.769 . . . . 0.0 110.939 -172.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -139.91 142.01 36.5 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.497 1.119 . . . . 0.0 109.002 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.52 -37.66 36.09 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 122.909 0.484 . . . . 0.0 109.715 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 p -77.89 123.55 26.9 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.012 175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 21.3 ttpp -68.1 -30.3 69.44 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.097 0.559 . . . . 0.0 111.234 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.35 -34.74 89.35 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.226 0.329 . . . . 0.0 112.595 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.95 -30.79 64.13 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.155 0.582 . . . . 0.0 110.524 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -65.77 -44.64 85.22 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.117 0.567 . . . . 0.0 110.166 173.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 59.9 mm-40 -56.81 -52.6 64.44 Favored 'General case' 0 C--N 1.359 1.004 0 O-C-N 124.113 0.883 . . . . 0.0 110.565 -177.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -65.24 -27.81 68.92 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 123.728 0.643 . . . . 0.0 112.552 -174.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -70.57 -28.05 64.59 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 176.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.0 mt -86.28 -67.66 0.79 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.069 0.547 . . . . 0.0 111.798 177.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 16.0 ptm180 -57.76 -30.5 65.67 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -172.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 68.4 mt -95.5 -62.69 1.26 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.7 0.4 . . . . 0.0 110.615 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.7 mt -85.96 -49.0 8.18 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -168.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -116.65 54.68 0.84 Allowed 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.049 0.928 . . . . 0.0 110.775 -169.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.542 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -87.79 7.33 30.96 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.936 -1.484 . . . . 0.0 112.189 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.58 62.85 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.095 0.958 . . . . 0.0 112.403 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.612 HE21 ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -106.05 -26.17 11.75 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.753 0.421 . . . . 0.0 111.848 -177.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.542 HG22 ' HA ' ' A' ' 53' ' ' ALA . 33.2 m -85.69 141.38 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 171.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -114.53 86.67 12.85 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.16 0.984 . . . . 0.0 110.344 -177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 84.1 Cg_endo -79.53 130.23 8.79 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 122.764 2.309 . . . . 0.0 112.124 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 53.8 t -59.98 103.76 0.25 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 174.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -64.98 -17.58 64.54 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 114.811 1.411 . . . . 0.0 114.811 -157.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -92.79 -22.54 19.28 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.112 0.565 . . . . 0.0 112.02 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -135.39 148.24 65.25 Favored Pre-proline 0 N--CA 1.485 1.288 0 CA-C-O 118.906 -0.569 . . . . 0.0 110.202 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -62.95 92.12 0.14 Allowed 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 121.95 1.767 . . . . 0.0 112.219 173.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.88 95.53 1.53 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.641 1.177 . . . . 0.0 109.178 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 25.2 m -92.26 122.11 34.42 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.484 0.714 . . . . 0.0 110.79 -175.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.99 168.92 8.87 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.065 0.946 . . . . 0.0 109.708 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.427 ' HD1' HG12 ' A' ' 56' ' ' VAL . 24.6 t80 -121.51 16.54 11.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 121.633 0.73 . . . . 0.0 109.751 175.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.6 m -133.6 138.89 46.2 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.306 0.642 . . . . 0.0 110.113 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 m -63.66 -44.68 81.29 Favored Pre-proline 0 CA--C 1.569 1.71 0 C-N-CA 123.968 0.907 . . . . 0.0 111.567 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 36.5 Cg_endo -64.94 -36.04 40.82 Favored 'Trans proline' 0 C--N 1.402 3.384 0 C-N-CA 121.785 1.657 . . . . 0.0 111.523 169.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.31 91.89 Favored Glycine 0 C--N 1.364 2.114 0 O-C-N 123.587 0.555 . . . . 0.0 113.027 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.5 -48.82 74.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.888 1.275 . . . . 0.0 110.414 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 m -74.91 -26.11 59.4 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.187 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.2 mtt-85 -61.28 -32.5 72.33 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.18 0.592 . . . . 0.0 111.593 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -66.64 -52.79 41.13 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.0 mt -55.28 -32.92 29.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.804 1.242 . . . . 0.0 112.126 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -81.78 -58.49 2.97 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.277 0.631 . . . . 0.0 110.002 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -90.65 -61.2 1.73 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 123.461 0.704 . . . . 0.0 112.656 -167.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -101.94 10.11 39.99 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.516 0.727 . . . . 0.0 112.099 -167.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' ' 83' ' ' GLU . 2.5 t-160 -155.39 47.64 0.33 Allowed Pre-proline 0 CA--C 1.564 1.498 0 C-N-CA 124.11 0.964 . . . . 0.0 109.497 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.23 -17.52 16.88 Favored 'Trans proline' 0 C--N 1.38 2.232 0 C-N-CA 121.775 1.65 . . . . 0.0 112.7 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -96.65 20.21 11.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.73 0.812 . . . . 0.0 112.527 -170.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 80' ' ' HIS . 7.6 pt-20 -84.42 60.02 5.77 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-O 121.749 0.785 . . . . 0.0 110.335 174.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -89.73 157.65 17.88 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.358 1.063 . . . . 0.0 109.1 178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 . . . . . 0 C--O 1.249 1.076 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 -173.523 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.93 -170.82 27.79 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-O 119.579 -0.567 . . . . 0.0 112.435 -179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.275 38.1 p-80 57.03 -63.09 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 127.648 2.379 . . . . 0.0 114.319 -175.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 67.13 -156.47 0.23 Allowed 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.814 1.246 . . . . 0.0 109.256 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -137.62 89.89 2.45 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.664 0.665 . . . . 0.0 111.183 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -167.6 139.52 3.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.774 0.83 . . . . 0.0 110.318 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -136.71 161.24 36.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.468 1.107 . . . . 0.0 109.245 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.7 p-80 -160.11 139.16 10.75 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.153 0.981 . . . . 0.0 108.697 172.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -155.87 107.55 2.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.944 0.497 . . . . 0.0 109.868 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -141.82 129.42 21.48 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.9 ttt -148.01 89.57 1.75 Allowed 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.117 0.484 . . . . 0.0 110.613 176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.73 93.74 1.44 Allowed Glycine 0 C--N 1.344 1.006 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -150.37 150.34 31.28 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.422 0.689 . . . . 0.0 111.085 -171.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.44 76.94 0.04 OUTLIER Glycine 0 C--N 1.353 1.493 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -126.78 155.57 42.59 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.281 1.032 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.71 148.6 8.43 Favored Glycine 0 C--N 1.344 0.988 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.56 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.17 124.08 28.34 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.023 0.929 . . . . 0.0 109.181 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.25 61.23 0.03 OUTLIER Glycine 0 C--N 1.344 1.015 0 N-CA-C 111.799 -0.52 . . . . 0.0 111.799 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG23 ' HG ' ' A' ' 20' ' ' LEU . 20.5 m -96.56 -28.59 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.455 0.702 . . . . 0.0 111.565 177.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.516 ' HG ' HG23 ' A' ' 19' ' ' VAL . 96.0 mt -123.87 155.04 38.78 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.695 0.798 . . . . 0.0 110.679 -175.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.47 147.4 18.47 Favored Glycine 0 N--CA 1.474 1.224 0 N-CA-C 111.491 -0.644 . . . . 0.0 111.491 -177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -83.41 131.35 35.04 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.181 0.593 . . . . 0.0 110.346 -175.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 p -74.86 -15.58 60.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.466 0.706 . . . . 0.0 111.996 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.28 -71.73 0.13 Allowed 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.756 1.622 . . . . 0.0 111.661 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 m 64.9 -179.58 0.18 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.918 1.287 . . . . 0.0 111.66 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.0 -69.69 0.31 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.037 0.535 . . . . 0.0 109.719 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.42 168.25 27.7 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.674 0.79 . . . . 0.0 110.188 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -162.6 163.88 26.98 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.146 0.979 . . . . 0.0 110.581 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -71.82 128.42 35.69 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.06 0.944 . . . . 0.0 109.565 174.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.15 136.69 47.4 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.86 0.464 . . . . 0.0 110.862 -175.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.6 t -67.19 111.41 7.14 Favored Pre-proline 0 N--CA 1.485 1.295 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.448 167.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD2' HD21 ' A' ' 48' ' ' LEU . 40.1 Cg_exo -39.01 -38.81 1.19 Allowed 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 125.041 3.827 . . . . 0.0 116.013 -173.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.7 t -79.95 -23.31 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 123.605 0.762 . . . . 0.0 111.71 -172.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 23.1 p -145.2 118.2 8.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.978 0.511 . . . . 0.0 110.161 177.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.27 107.37 1.78 Allowed Glycine 0 C--N 1.353 1.487 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -154.34 126.37 7.76 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -77.24 115.68 17.22 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 123.963 0.789 . . . . 0.0 111.547 -167.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -121.53 125.37 46.62 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.656 0.782 . . . . 0.0 108.97 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.51 -43.31 27.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -77.8 133.49 38.2 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.836 176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -62.55 -35.03 78.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.683 0.793 . . . . 0.0 110.906 173.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.79 -34.72 90.7 Favored Glycine 0 C--N 1.346 1.102 0 O-C-N 123.3 0.375 . . . . 0.0 112.953 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.23 -33.97 70.35 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.533 0.733 . . . . 0.0 110.934 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -69.41 -47.6 63.64 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.986 0.914 . . . . 0.0 109.874 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -46.01 90.79 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 125.835 1.654 . . . . 0.0 111.636 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -66.39 -30.36 70.72 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 123.575 0.547 . . . . 0.0 111.53 -174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.443 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 2.4 t-80 -69.01 -22.21 64.08 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 119.487 -0.292 . . . . 0.0 110.466 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' HD2' ' A' ' 32' ' ' PRO . 96.8 mt -84.67 -65.32 1.02 Allowed 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.731 0.644 . . . . 0.0 110.166 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -65.89 -23.73 66.7 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -168.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.9 mt -97.06 -70.96 0.7 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 122.804 0.442 . . . . 0.0 110.381 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.4 mt -80.86 -62.74 1.58 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.119 0.567 . . . . 0.0 111.549 -169.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.513 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 7.7 m170 -86.93 43.46 1.09 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.531 1.132 . . . . 0.0 111.505 -176.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.73 1.98 24.49 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.804 1.242 . . . . 0.0 111.63 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.14 -20.93 60.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.862 0.865 . . . . 0.0 111.483 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -102.96 -26.92 12.92 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.156 0.582 . . . . 0.0 111.832 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.561 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 24.5 m -101.21 115.42 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.208 0.528 . . . . 0.0 109.747 176.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -92.21 102.46 6.43 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 124.542 1.137 . . . . 0.0 110.197 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.05 120.34 4.97 Favored 'Trans proline' 0 C--N 1.372 1.813 0 C-N-CA 122.604 2.203 . . . . 0.0 111.091 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.0 OUTLIER -57.23 104.51 0.17 Allowed 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 172.36 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -48.69 -31.37 6.71 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -154.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -73.7 -19.15 60.9 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 122.938 0.495 . . . . 0.0 111.56 -175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.577 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.1 p -132.23 159.76 70.85 Favored Pre-proline 0 N--CA 1.482 1.14 0 C-N-CA 124.623 1.169 . . . . 0.0 110.562 178.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.86 9.1 3.41 Favored 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.539 2.159 . . . . 0.0 113.836 174.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.01 112.56 5.72 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.72 0.808 . . . . 0.0 110.46 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.561 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 20.5 p -91.57 146.29 23.91 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 123.611 0.764 . . . . 0.0 111.061 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -135.22 120.56 19.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.337 1.055 . . . . 0.0 108.796 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -66.6 -14.04 61.87 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 123.256 0.622 . . . . 0.0 111.252 -172.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.403 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 50.5 m -123.38 142.2 51.22 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.34 1.056 . . . . 0.0 110.223 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 43.0 p -66.69 -29.01 2.49 Favored Pre-proline 0 CA--C 1.57 1.734 0 CA-C-O 118.299 -0.857 . . . . 0.0 113.165 176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 63.1 Cg_exo -47.95 -47.57 18.64 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 122.176 1.917 . . . . 0.0 113.594 160.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.51 93.24 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 116.594 -0.275 . . . . 0.0 112.608 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 59' ' ' CYS . 22.8 tp -50.8 -56.61 11.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.043 1.337 . . . . 0.0 111.331 175.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.7 t -71.95 -32.16 67.03 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.148 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -70.2 -20.66 63.09 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.0 t-80 -75.08 -35.05 61.84 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.509 1.05 . . . . 0.0 108.882 170.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 81' ' ' PRO . 35.0 mt -73.04 -20.45 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.266 0 C-N-CA 123.735 0.814 . . . . 0.0 110.123 176.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.49 -41.73 15.08 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 121.572 -0.705 . . . . 0.0 110.811 173.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -91.8 -62.66 1.38 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.982 0.513 . . . . 0.0 112.222 -170.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.08 20.68 12.63 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.871 0.869 . . . . 0.0 112.279 -167.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.577 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 1.7 m170 -157.08 50.86 0.46 Allowed Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 124.582 1.153 . . . . 0.0 109.315 171.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 56.9 Cg_endo -84.65 -72.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.386 2.519 0 C-N-CA 122.556 2.171 . . . . 0.0 114.268 -168.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.0 t -76.75 -62.18 1.72 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 123.179 0.592 . . . . 0.0 110.37 -175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 56.92 18.3 3.82 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.932 1.293 . . . . 0.0 113.614 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -167.71 84.62 0.21 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.292 0.637 . . . . 0.0 109.802 -175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 . . . . . 0 C--O 1.252 1.22 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 172.91 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -91.24 159.58 26.41 Favored Glycine 0 C--N 1.346 1.135 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 171.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -146.32 94.57 2.48 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 117.386 0.593 . . . . 0.0 109.684 -178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -76.24 146.79 38.77 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.918 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -132.21 97.67 4.2 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.673 0.389 . . . . 0.0 110.718 -175.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -121.73 169.53 10.64 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.006 0.922 . . . . 0.0 109.708 173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -142.55 165.36 27.6 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 170.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -116.44 139.07 50.84 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -136.48 106.63 6.36 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 123.187 0.595 . . . . 0.0 109.742 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -82.41 70.3 9.34 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-O 121.788 0.804 . . . . 0.0 108.839 173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.1 ttt -152.98 132.42 12.91 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.929 -178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.38 97.39 0.41 Allowed Glycine 0 C--N 1.336 0.535 0 N-CA-C 110.576 -1.009 . . . . 0.0 110.576 -178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -165.16 -175.31 3.6 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.885 0.874 . . . . 0.0 109.771 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.72 -131.85 2.15 Favored Glycine 0 C--N 1.337 0.634 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -73.49 -34.97 65.58 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 -132.31 11.21 Favored Glycine 0 C--N 1.34 0.773 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.03 -175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.15 150.67 27.53 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.185 0.594 . . . . 0.0 109.773 176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.71 41.72 0.06 OUTLIER Glycine 0 C--N 1.344 0.973 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 33' ' ' VAL . 17.3 m -95.93 178.27 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 123.715 0.806 . . . . 0.0 111.308 -175.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 pp -164.4 179.08 6.98 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.61 0.764 . . . . 0.0 111.208 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -159.53 137.68 5.23 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.09 127.02 31.8 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.238 0.615 . . . . 0.0 109.414 -175.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 37.4 t 62.05 -85.12 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 124.986 1.315 . . . . 0.0 111.428 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.98 52.48 9.19 Favored 'General case' 0 C--N 1.361 1.072 0 C-N-CA 124.154 0.982 . . . . 0.0 111.114 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 m -72.52 0.02 11.52 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.979 0.912 . . . . 0.0 112.757 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.65 154.37 31.72 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.273 1.029 . . . . 0.0 109.216 170.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -105.48 -89.17 0.43 Allowed 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.811 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 88.3 m 48.39 -85.98 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.03 1.332 . . . . 0.0 111.828 -166.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -156.61 131.41 8.94 Favored 'General case' 0 C--O 1.244 0.778 0 C-N-CA 124.222 1.009 . . . . 0.0 108.909 175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.15 143.21 31.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.551 0.74 . . . . 0.0 109.596 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' HB2' ' HE2' ' A' ' 38' ' ' PHE . 12.7 t -62.36 117.36 29.78 Favored Pre-proline 0 N--CA 1.49 1.53 0 C-N-CA 123.242 0.617 . . . . 0.0 109.634 170.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.553 ' HD2' HD21 ' A' ' 48' ' ' LEU . 72.8 Cg_exo -46.65 -27.28 5.2 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 124.207 3.271 . . . . 0.0 116.258 -176.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.547 ' HA ' HG11 ' A' ' 19' ' ' VAL . 7.5 t -94.7 -21.59 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -176.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.1 p -147.9 114.12 5.88 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 176.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.37 109.91 2.78 Favored Glycine 0 C--N 1.358 1.77 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -161.67 116.79 2.01 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -169.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.5 p -77.6 115.4 17.33 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.549 0.531 . . . . 0.0 111.596 -170.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.403 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 62.4 m-85 -110.1 130.09 55.59 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 170.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.46 -25.73 26.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.903 0.481 . . . . 0.0 109.816 171.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.4 t -95.81 132.17 41.34 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 123.929 0.892 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -64.46 -26.64 68.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.104 0.962 . . . . 0.0 111.401 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.58 -50.42 67.95 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 115.915 -0.584 . . . . 0.0 113.474 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.98 -28.78 62.59 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.581 0.753 . . . . 0.0 111.411 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.454 HE22 ' HD3' ' A' ' 32' ' ' PRO . 51.4 tp60 -56.61 -55.54 32.62 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.974 0.909 . . . . 0.0 110.712 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -73.7 -34.36 64.81 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.18 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.19 -27.63 69.49 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 122.606 0.362 . . . . 0.0 111.042 -174.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -63.28 -60.25 3.64 Favored 'General case' 0 C--O 1.209 -1.049 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 168.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD21 ' HD2' ' A' ' 32' ' ' PRO . 26.1 mt -63.1 -22.68 67.02 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.712 0.805 . . . . 0.0 112.662 -174.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -84.8 -36.04 21.95 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.356 1.063 . . . . 0.0 112.081 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.7 mt -125.84 -61.86 1.22 Allowed 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.055 0.455 . . . . 0.0 111.725 -167.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.7 mt -87.09 -7.93 57.56 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.667 0.787 . . . . 0.0 112.735 -167.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -156.51 40.81 0.35 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.733 1.213 . . . . 0.0 108.957 -173.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.01 -20.47 27.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 113.988 -1.46 . . . . 0.0 113.006 -175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.34 -14.62 61.33 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.94 0.496 . . . . 0.0 112.204 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -101.11 -6.95 23.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.272 0.629 . . . . 0.0 111.604 -177.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.5 m -110.53 145.19 17.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.002 0.521 . . . . 0.0 109.826 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.6 m-85 -125.84 96.82 36.92 Favored Pre-proline 0 N--CA 1.477 0.9 0 C-N-CA 123.769 0.828 . . . . 0.0 110.881 -173.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.52 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 82.1 Cg_endo -77.14 124.86 7.51 Favored 'Trans proline' 0 C--N 1.369 1.653 0 C-N-CA 122.714 2.276 . . . . 0.0 112.135 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.7 t -66.93 101.75 0.88 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 173.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -50.27 -43.02 53.16 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 125.471 1.509 . . . . 0.0 114.868 -155.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.2 m-85 -79.75 -13.01 59.75 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.932 -165.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.5 p -133.56 145.25 55.56 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.717 0.807 . . . . 0.0 109.14 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -66.8 89.53 0.29 Allowed 'Trans proline' 0 CA--C 1.557 1.632 0 C-N-CA 121.685 1.59 . . . . 0.0 111.776 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.67 103.58 1.92 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.961 0.905 . . . . 0.0 110.305 -178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 86.1 m -94.93 137.44 33.99 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.185 0.594 . . . . 0.0 111.183 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -113.29 167.3 10.67 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.213 1.005 . . . . 0.0 109.797 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.1 20.74 16.03 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.758 0.823 . . . . 0.0 109.81 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.3 t -160.32 140.86 11.77 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.221 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.416 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 32.2 t -68.75 -39.37 14.19 Favored Pre-proline 0 CA--C 1.561 1.402 0 C-N-CA 123.98 0.912 . . . . 0.0 112.865 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' SER . 23.8 Cg_endo -61.68 -33.57 85.82 Favored 'Trans proline' 0 C--N 1.393 2.911 0 CA-C-N 121.287 1.495 . . . . 0.0 111.382 170.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.542 ' HA2' ' HE ' ' A' ' 74' ' ' ARG . . . -63.44 -40.76 99.19 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 123.421 0.451 . . . . 0.0 112.551 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 57' ' ' PHE . 57.3 tp -54.85 -50.93 67.45 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.366 1.066 . . . . 0.0 110.415 172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.0 m -61.99 -38.79 89.93 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.326 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.542 ' HE ' ' HA2' ' A' ' 71' ' ' GLY . 50.2 mtm180 -65.97 -23.23 66.55 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.2 t-80 -72.43 -53.79 11.21 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 172.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.1 mt -53.72 -36.81 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 125.186 1.394 . . . . 0.0 112.069 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.58 -53.74 5.2 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.259 0.623 . . . . 0.0 112.033 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -90.83 -62.9 1.35 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -171.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 43.2 t -100.22 12.14 37.73 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.329 0.652 . . . . 0.0 111.818 -164.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.7 t-160 -143.64 57.68 5.56 Favored Pre-proline 0 CA--C 1.561 1.376 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 173.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -47.58 -60.58 0.82 Allowed 'Trans proline' 0 C--N 1.393 2.88 0 C-N-CA 124.327 3.352 . . . . 0.0 114.829 -164.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.6 m -124.34 85.5 2.42 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -78.81 64.44 3.78 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.085 0.945 . . . . 0.0 109.037 170.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -95.27 89.73 5.59 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.153 -176.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 123.738 0.815 . . . . 0.0 109.423 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.8 mtm . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.38 160.12 27.23 Favored Glycine 0 C--N 1.341 0.811 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.594 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -138.49 77.15 1.61 Allowed 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -153.47 144.6 22.95 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.205 1.402 . . . . 0.0 109.102 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -99.53 91.07 4.73 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.326 0.65 . . . . 0.0 109.546 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -145.35 90.09 1.99 Allowed 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.07 0.948 . . . . 0.0 108.995 172.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -132.04 87.18 2.41 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.97 0.908 . . . . 0.0 108.733 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -152.77 137.3 16.81 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.424 1.09 . . . . 0.0 109.07 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 p -85.62 120.96 27.63 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 122.904 0.482 . . . . 0.0 111.893 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -97.31 -8.32 29.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.829 0.852 . . . . 0.0 110.274 166.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.82 131.12 54.27 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.423 1.089 . . . . 0.0 108.632 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.16 144.06 15.56 Favored Glycine 0 C--N 1.345 1.063 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -63.91 142.45 58.4 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.26 0.624 . . . . 0.0 111.39 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.42 -124.45 0.82 Allowed Glycine 0 C--N 1.341 0.85 0 O-C-N 123.848 0.718 . . . . 0.0 111.754 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -168.74 142.53 3.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.049 0.54 . . . . 0.0 109.839 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.73 94.88 0.21 Allowed Glycine 0 C--N 1.346 1.116 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.75 93.93 5.82 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.565 0.746 . . . . 0.0 110.158 -177.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.15 137.93 2.63 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.443 -0.344 . . . . 0.0 112.931 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 m -129.49 -167.95 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 125.145 1.378 . . . . 0.0 109.165 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 pp -135.45 140.01 44.53 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -150.78 37.06 0.89 Allowed Glycine 0 C--N 1.341 0.806 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.82 -31.47 51.72 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.691 0.796 . . . . 0.0 111.294 -175.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.6 m -60.33 108.59 0.83 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.209 1.004 . . . . 0.0 112.293 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.32 86.71 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.465 0.706 . . . . 0.0 111.19 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 64.7 89.61 0.09 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.099 1.36 . . . . 0.0 111.404 175.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.44 165.83 24.27 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.739 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -70.02 88.13 0.58 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.144 0.578 . . . . 0.0 109.617 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 78.9 m -141.99 -178.28 5.62 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 124.201 1.0 . . . . 0.0 109.308 -177.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -66.26 117.0 7.91 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.566 0.542 . . . . 0.0 109.694 176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 86.7 mt -103.8 120.83 41.78 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 30.6 t -58.16 106.65 0.73 Allowed Pre-proline 0 N--CA 1.486 1.372 0 C-N-CA 124.164 0.986 . . . . 0.0 108.749 171.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.608 ' HD2' HD21 ' A' ' 48' ' ' LEU . 75.5 Cg_exo -46.37 -26.61 4.16 Favored 'Trans proline' 0 C--N 1.388 2.608 0 C-N-CA 124.143 3.228 . . . . 0.0 115.742 -174.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 t -92.72 -19.96 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 C-N-CA 123.579 0.751 . . . . 0.0 111.456 -173.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -150.86 122.08 7.78 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.106 0.562 . . . . 0.0 109.641 174.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.18 112.84 5.21 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -164.99 129.38 2.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.767 0.827 . . . . 0.0 109.018 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 36.6 p -83.52 132.24 34.95 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.544 0.737 . . . . 0.0 111.256 -173.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -132.14 128.08 37.32 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.987 0.915 . . . . 0.0 109.307 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.8 -22.73 19.16 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 166.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -90.07 123.89 34.32 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.212 1.005 . . . . 0.0 109.486 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 64.3 tttp -60.27 -46.06 91.15 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.66 0.784 . . . . 0.0 111.527 -179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.89 -36.22 65.88 Favored Glycine 0 C--N 1.343 0.961 0 O-C-N 123.912 0.757 . . . . 0.0 113.982 -176.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.38 -37.65 80.61 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.581 0.752 . . . . 0.0 110.969 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -66.68 -43.92 83.14 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.94 0.896 . . . . 0.0 111.034 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 28.8 mm-40 -63.55 -55.74 21.43 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 123.737 0.815 . . . . 0.0 110.228 -178.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' HB2' HD12 ' A' ' 50' ' ' LEU . 7.1 ptp180 -65.08 -24.63 67.51 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 123.88 0.737 . . . . 0.0 111.694 -175.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -67.49 -44.28 78.87 Favored 'General case' 0 C--O 1.21 -1.01 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.055 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD21 ' HD2' ' A' ' 32' ' ' PRO . 69.5 mt -77.53 -63.48 1.37 Allowed 'General case' 0 C--O 1.212 -0.883 0 O-C-N 123.221 0.326 . . . . 0.0 111.416 -177.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.548 ' HG3' ' HG ' ' A' ' 50' ' ' LEU . 2.4 ptm180 -64.48 -20.19 66.03 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -172.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 mt -114.32 -66.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.74 0.416 . . . . 0.0 110.727 -178.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.4 mt -75.91 -27.16 57.56 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.528 0.731 . . . . 0.0 112.597 -168.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -138.95 44.0 2.05 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.187 0.995 . . . . 0.0 109.939 -169.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -81.76 3.05 27.2 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 113.964 -1.471 . . . . 0.0 112.69 -176.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.07 -46.11 82.53 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.312 0.645 . . . . 0.0 111.25 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -88.64 -42.51 11.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.064 0.546 . . . . 0.0 111.572 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -79.92 169.03 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-O 120.92 0.391 . . . . 0.0 110.557 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.432 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 93.1 m-85 -129.25 83.68 64.78 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 123.945 0.898 . . . . 0.0 110.252 -175.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 5.5 Cg_exo -73.86 119.2 5.76 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 123.15 2.567 . . . . 0.0 111.575 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.4 t -63.61 102.14 0.41 Allowed 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -51.75 -41.38 61.54 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -149.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.561 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 22.3 m-85 -81.67 -7.08 59.55 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 118.369 0.531 . . . . 0.0 111.251 -171.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 20.2 p -132.5 149.54 73.36 Favored Pre-proline 0 N--CA 1.483 1.181 0 C-N-CA 123.606 0.762 . . . . 0.0 109.548 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -68.72 1.24 3.94 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.844 2.363 . . . . 0.0 114.567 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -63.14 104.17 0.55 Allowed 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.594 0.758 . . . . 0.0 110.445 172.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 28.8 m -105.88 137.71 43.3 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.04 0.936 . . . . 0.0 110.566 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -115.26 168.48 9.92 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.283 1.033 . . . . 0.0 109.547 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' HD1' HG12 ' A' ' 56' ' ' VAL . 17.8 t80 -115.24 8.53 15.53 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.153 0.581 . . . . 0.0 109.593 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.1 t -142.56 142.82 32.24 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 123.523 0.729 . . . . 0.0 109.904 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 14.7 m -66.67 -42.0 42.43 Favored Pre-proline 0 CA--C 1.559 1.315 0 C-N-CA 124.609 1.164 . . . . 0.0 112.786 -176.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -60.1 -34.56 94.4 Favored 'Trans proline' 0 C--N 1.394 2.94 0 C-N-CA 121.654 1.569 . . . . 0.0 112.317 170.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.78 -41.9 98.73 Favored Glycine 0 C--N 1.358 1.773 0 O-C-N 123.394 0.434 . . . . 0.0 112.589 175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 69' ' ' SER . 52.6 tp -51.22 -47.76 62.23 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.845 1.258 . . . . 0.0 111.262 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -74.09 -31.36 62.78 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.624 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -66.75 -28.74 68.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.89 -175.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 14.6 t-80 -68.93 -34.22 75.01 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 118.817 0.735 . . . . 0.0 110.199 176.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.692 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 57.0 mt -63.89 -54.69 28.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 124.305 1.003 . . . . 0.0 109.7 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -67.6 -25.5 65.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.575 0.75 . . . . 0.0 112.628 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -84.67 -60.69 1.99 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.165 0.586 . . . . 0.0 111.821 -175.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -149.15 31.93 0.75 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.981 0.512 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.1 t-160 -145.63 72.51 14.01 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 120.708 0.29 . . . . 0.0 110.974 177.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.14 -6.71 14.03 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 122.368 2.045 . . . . 0.0 112.964 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.3 m -75.09 83.56 2.3 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-O 121.674 0.749 . . . . 0.0 109.785 176.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -121.1 -57.41 1.87 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.664 -171.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 65.02 -82.52 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.571 1.548 . . . . 0.0 110.48 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 . . . . . 0 CA--C 1.555 1.168 0 C-N-CA 124.133 0.973 . . . . 0.0 109.952 173.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.32 173.48 44.44 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.508 -0.314 . . . . 0.0 113.408 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -90.92 95.42 10.11 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.467 0.707 . . . . 0.0 110.446 -174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -77.99 92.14 4.3 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 173.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -63.22 89.2 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -163.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 70.24 -10.44 0.66 Allowed 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 126.277 1.831 . . . . 0.0 114.102 169.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -81.8 141.22 33.67 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.358 0.663 . . . . 0.0 111.036 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.8 m80 -131.26 166.26 21.59 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.006 1.323 . . . . 0.0 108.344 176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -140.32 -71.03 0.38 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.044 0.538 . . . . 0.0 110.896 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.9 m170 64.82 171.39 0.2 Allowed 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.901 1.28 . . . . 0.0 111.782 -173.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -153.34 116.67 4.63 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.188 0.595 . . . . 0.0 109.786 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.29 125.51 1.22 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.3 -30.66 20.69 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.178 0.591 . . . . 0.0 111.078 -178.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.63 69.43 1.4 Allowed Glycine 0 C--N 1.35 1.313 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -173.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -54.73 -47.96 73.14 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.087 0.955 . . . . 0.0 112.392 -175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.69 -108.35 2.07 Favored Glycine 0 C--N 1.352 1.427 0 O-C-N 123.775 0.672 . . . . 0.0 112.965 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.16 -156.81 0.66 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.931 0.892 . . . . 0.0 109.54 -176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.17 -162.53 17.05 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.3 m -90.5 156.65 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 121.182 0.515 . . . . 0.0 111.508 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.8 mt -125.85 -53.0 1.55 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.209 1.004 . . . . 0.0 108.738 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.22 143.58 8.1 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.352 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.7 tp -93.36 115.16 27.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 109.44 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m -71.53 94.01 1.25 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.265 0.626 . . . . 0.0 110.042 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.16 176.55 0.18 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.847 1.259 . . . . 0.0 111.718 -175.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.7 m -147.08 129.01 15.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.654 0.782 . . . . 0.0 109.006 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 112.43 2.76 Favored 'General case' 0 C--O 1.243 0.718 0 O-C-N 123.458 0.474 . . . . 0.0 109.932 175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -75.8 81.94 2.74 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.582 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.8 m -146.14 -66.94 0.29 Allowed 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -148.59 134.74 19.28 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.784 0.833 . . . . 0.0 110.55 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.4 mt -126.98 135.44 50.86 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 174.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 34.6 t -56.87 109.45 1.72 Allowed Pre-proline 0 N--CA 1.489 1.509 0 CA-C-N 118.63 0.65 . . . . 0.0 109.597 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -37.95 -37.91 0.65 Allowed 'Trans proline' 0 C--N 1.392 2.825 1 C-N-CA 125.362 4.041 . . . . 0.0 117.056 -166.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 t -92.45 -22.83 5.8 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 C-N-CA 123.12 0.568 . . . . 0.0 112.02 -171.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.612 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 21.5 p -133.26 126.91 32.53 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.857 0.463 . . . . 0.0 110.588 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.86 111.28 3.79 Favored Glycine 0 C--N 1.362 1.982 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -160.29 109.2 1.71 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -163.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 m -69.05 116.75 9.86 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.949 0.9 . . . . 0.0 112.836 -168.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -130.88 160.08 35.51 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 123.9 0.88 . . . . 0.0 109.886 172.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.74 -55.46 2.43 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 124.29 1.036 . . . . 0.0 108.612 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.3 t -75.45 136.18 40.69 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.949 173.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 33.1 ttpt -72.9 -21.97 60.82 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.196 0.31 . . . . 0.0 110.597 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.79 -33.32 72.55 Favored Glycine 0 CA--C 1.537 1.431 0 N-CA-C 111.792 -0.523 . . . . 0.0 111.792 171.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -80.93 -23.07 39.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.206 1.002 . . . . 0.0 111.784 175.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -71.9 -44.46 63.67 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.997 0.427 . . . . 0.0 110.112 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 22.7 mm-40 -75.18 -25.69 58.48 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.348 -175.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 10.7 ptp180 -61.12 -40.57 94.3 Favored 'General case' 0 C--N 1.365 1.242 0 O-C-N 123.325 0.391 . . . . 0.0 110.31 -178.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.525 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 1.8 t-80 -68.66 -36.37 78.48 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ALA . 95.9 mt -67.16 -39.89 86.58 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.083 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' HD3' ' HG ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -85.45 -19.23 31.6 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 178.245 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HG ' ' HD3' ' A' ' 49' ' ' ARG . 82.4 mt -93.18 -81.45 0.36 Allowed 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 122.69 0.396 . . . . 0.0 111.521 179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.417 HD12 ' NE2' ' A' ' 47' ' ' HIS . 80.3 mt -89.47 -47.86 7.71 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.084 0.554 . . . . 0.0 110.887 -168.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.4 m170 -83.08 39.72 0.66 Allowed 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 124.522 1.129 . . . . 0.0 111.195 173.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 48' ' ' LEU . . . -72.42 -34.61 67.95 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.132 1.373 . . . . 0.0 111.987 -175.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.51 -20.26 64.57 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.261 0.624 . . . . 0.0 111.096 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -85.27 -11.3 55.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.658 0.783 . . . . 0.0 112.23 -176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.9 163.07 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 120.929 0.395 . . . . 0.0 110.164 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -131.18 83.32 60.51 Favored Pre-proline 0 CA--C 1.55 0.959 0 C-N-CA 124.618 1.167 . . . . 0.0 108.859 -175.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.11 124.95 6.24 Favored 'Trans proline' 0 C--N 1.37 1.685 0 C-N-CA 122.616 2.21 . . . . 0.0 112.118 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 15.4 t -66.26 102.98 0.91 Allowed 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 172.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -50.85 -39.42 53.56 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 126.178 1.791 . . . . 0.0 114.841 -154.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -78.38 -9.1 59.14 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.545 0.738 . . . . 0.0 112.032 -170.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.541 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.4 p -132.79 150.82 76.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 124.015 0.926 . . . . 0.0 110.457 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -76.23 80.69 2.63 Favored 'Trans proline' 0 C--N 1.372 1.79 0 C-N-CA 122.197 1.931 . . . . 0.0 111.282 173.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.59 106.05 3.52 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.267 -174.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 p -91.88 136.2 33.34 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.446 0.641 . . . . 0.0 110.983 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -119.29 149.1 42.35 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.859 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -97.08 13.11 30.25 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 122.177 -0.327 . . . . 0.0 110.673 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.5 m -139.92 136.89 34.34 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.97 0.908 . . . . 0.0 109.678 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.7 p -71.01 -34.58 3.55 Favored Pre-proline 0 CA--C 1.568 1.662 0 C-N-CA 123.729 0.811 . . . . 0.0 112.512 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.51 -36.21 78.08 Favored 'Trans proline' 0 C--N 1.395 3.021 0 CA-C-N 121.358 1.521 . . . . 0.0 111.825 165.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.36 -34.05 88.3 Favored Glycine 0 C--N 1.36 1.89 0 O-C-N 123.649 0.593 . . . . 0.0 112.664 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.3 tp -59.67 -49.84 76.16 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.474 1.11 . . . . 0.0 109.887 171.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.427 ' HA ' HD12 ' A' ' 76' ' ' ILE . 17.8 m -69.31 -24.11 63.89 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.766 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.6 mmp_? -62.17 -50.84 70.25 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 119.143 -0.456 . . . . 0.0 110.616 177.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 6.2 t-80 -69.97 -21.22 63.26 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 117.89 0.314 . . . . 0.0 111.13 -177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 73' ' ' THR . 81.6 mt -66.74 -65.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 170.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.455 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER -66.18 -13.52 60.37 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 85.0 tttt -91.9 -61.23 1.67 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.867 0.867 . . . . 0.0 111.233 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 75.4 m -138.41 11.21 2.76 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -167.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.541 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 6.1 m80 -145.49 52.71 1.66 Allowed Pre-proline 0 N--CA 1.492 1.644 0 C-N-CA 123.202 0.601 . . . . 0.0 111.034 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 40.3 Cg_endo -97.97 -156.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.389 2.666 0 C-N-CA 123.193 2.595 . . . . 0.0 111.613 -177.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m 62.42 27.15 16.18 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.4 1.08 . . . . 0.0 110.405 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.23 63.19 7.07 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.097 0.959 . . . . 0.0 109.591 -173.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.2 t30 170.87 -53.02 0.01 OUTLIER 'General case' 0 C--O 1.241 0.615 0 C-N-CA 126.958 2.103 . . . . 0.0 106.427 -174.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 . . . . . 0 CA--C 1.561 1.387 0 C-N-CA 125.671 1.588 . . . . 0.0 109.9 178.099 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttm . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.99 48.46 1.07 Allowed Glycine 0 C--N 1.348 1.234 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -72.63 90.1 1.35 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -94.77 -64.11 1.1 Allowed 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 57.25 19.05 4.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 124.801 1.24 . . . . 0.0 112.206 172.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -101.69 97.14 7.59 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.634 0.774 . . . . 0.0 110.096 -170.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -143.36 95.59 2.78 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.077 0.951 . . . . 0.0 108.993 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -100.6 84.89 2.82 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 p -147.93 100.46 3.2 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.339 0.656 . . . . 0.0 110.883 -175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -86.19 -42.46 13.81 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttp -66.42 95.17 0.3 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.476 0.71 . . . . 0.0 110.676 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.31 45.77 0.3 Allowed Glycine 0 C--N 1.337 0.591 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.726 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -102.57 136.95 41.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.813 0.845 . . . . 0.0 109.819 -177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.81 59.23 0.01 OUTLIER Glycine 0 C--N 1.341 0.821 0 N-CA-C 111.702 -0.559 . . . . 0.0 111.702 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -72.48 126.83 30.82 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.86 136.47 4.32 Favored Glycine 0 C--O 1.241 0.541 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.114 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.92 79.66 1.2 Allowed 'General case' 0 C--O 1.239 0.535 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.92 53.32 4.72 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.549 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.4 m -123.11 164.08 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.243 1.017 . . . . 0.0 109.75 -177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 pp -107.8 154.24 21.83 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.811 0.844 . . . . 0.0 109.716 173.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -179.11 38.23 0.08 OUTLIER Glycine 0 C--N 1.343 0.939 0 N-CA-C 112.576 -0.209 . . . . 0.0 112.576 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tt -148.48 149.66 32.05 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.2 t -63.02 -38.06 89.68 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.109 0.964 . . . . 0.0 110.709 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 69.52 167.15 0.28 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.615 1.566 . . . . 0.0 112.25 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 p -85.79 103.19 14.33 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.796 0.838 . . . . 0.0 111.211 -173.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.19 -179.19 6.05 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.752 0.821 . . . . 0.0 111.553 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 77.85 -52.43 0.52 Allowed 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.766 1.627 . . . . 0.0 112.636 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.3 t -63.31 -65.24 0.71 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.315 1.046 . . . . 0.0 113.042 -171.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -140.41 141.1 35.57 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.08 0.952 . . . . 0.0 110.02 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 71.7 mt -134.9 138.62 44.28 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HA ' HE22 ' A' ' 44' ' ' GLN . 53.1 t -58.47 109.96 2.24 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 173.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.579 ' HD2' HD21 ' A' ' 48' ' ' LEU . 83.6 Cg_exo -48.89 -35.25 30.87 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 123.758 2.972 . . . . 0.0 115.039 -170.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 t -81.9 -31.0 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.561 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 14.3 p -142.61 112.07 6.7 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -54.18 112.16 2.44 Favored Glycine 0 C--N 1.35 1.333 0 O-C-N 123.059 0.225 . . . . 0.0 112.777 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 9.0 tp10 -147.16 122.64 10.39 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.9 m -70.73 120.42 16.3 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 123.399 0.68 . . . . 0.0 112.517 -169.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HE2' ' HB2' ' A' ' 31' ' ' CYS . 39.5 m-85 -136.79 145.97 45.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.555 1.142 . . . . 0.0 109.908 178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.31 -46.13 4.49 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.822 -0.806 . . . . 0.0 108.822 167.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -65.73 132.19 48.15 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.166 177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 62.4 pttt -71.18 -24.94 62.33 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.152 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -38.18 74.43 Favored Glycine 0 C--N 1.348 1.243 0 O-C-N 123.376 0.423 . . . . 0.0 112.217 174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.57 -31.25 63.52 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.569 0.748 . . . . 0.0 110.379 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.523 HE22 ' HA ' ' A' ' 31' ' ' CYS . 16.7 tp60 -59.05 -51.43 70.09 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.844 0.857 . . . . 0.0 110.658 173.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 9.0 mm-40 -76.01 -17.54 59.64 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.723 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -60.13 -52.34 65.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.558 0.743 . . . . 0.0 111.902 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -68.6 -31.14 70.11 Favored 'General case' 0 N--CA 1.485 1.297 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.579 HD21 ' HD2' ' A' ' 32' ' ' PRO . 59.0 mt -70.01 -37.81 75.77 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.098 -0.955 . . . . 0.0 112.623 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.27 -26.58 33.02 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.869 0.304 . . . . 0.0 110.718 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -96.94 -82.32 0.41 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.821 0.448 . . . . 0.0 111.682 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.9 mt -93.94 2.11 56.18 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -166.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.561 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 2.1 m170 -138.69 37.65 2.21 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.883 0.849 . . . . 0.0 109.784 173.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.576 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -69.3 -14.2 62.81 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.857 -1.52 . . . . 0.0 112.146 177.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.61 -20.19 64.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.443 1.097 . . . . 0.0 112.702 179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -108.94 -14.75 14.51 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.85 0.46 . . . . 0.0 112.169 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 53' ' ' ALA . 32.0 m -98.45 149.53 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 172.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.497 ' HB3' HD22 ' A' ' 72' ' ' LEU . 94.0 m-85 -133.4 83.91 48.17 Favored Pre-proline 0 CA--C 1.547 0.861 0 C-N-CA 123.963 0.905 . . . . 0.0 109.3 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 57.6 Cg_endo -70.35 124.12 10.54 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.549 2.166 . . . . 0.0 111.733 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 41.5 t -56.18 114.09 1.82 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -45.58 -34.21 3.24 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 125.055 1.342 . . . . 0.0 114.571 -164.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -97.26 -28.12 14.21 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.155 0.582 . . . . 0.0 112.295 -171.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 13.8 p -133.85 138.41 30.77 Favored Pre-proline 0 N--CA 1.491 1.59 0 CA-C-O 119.072 -0.49 . . . . 0.0 110.515 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -62.81 9.68 0.1 Allowed 'Trans proline' 0 N--CA 1.51 2.473 0 C-N-CA 123.938 3.092 . . . . 0.0 116.074 -172.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.91 97.39 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.636 0.774 . . . . 0.0 110.311 167.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.573 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.3 m -95.41 111.72 23.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.174 0.589 . . . . 0.0 110.591 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -94.79 123.35 38.19 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.74 0.816 . . . . 0.0 110.146 -178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -82.16 47.86 1.18 Allowed 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.1 p -158.6 136.29 10.31 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 123.16 0.584 . . . . 0.0 110.08 -173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.9 m -60.71 -47.37 96.12 Favored Pre-proline 0 CA--C 1.563 1.473 0 C-N-CA 123.601 0.76 . . . . 0.0 112.096 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -65.56 -40.05 19.35 Favored 'Trans proline' 0 C--N 1.387 2.603 0 CA-C-N 121.24 1.478 . . . . 0.0 112.927 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.74 -36.28 71.44 Favored Glycine 0 C--N 1.357 1.709 0 O-C-N 123.489 0.493 . . . . 0.0 114.149 -173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD22 ' HB3' ' A' ' 57' ' ' PHE . 55.7 tp -58.89 -52.81 64.16 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.777 0.831 . . . . 0.0 110.351 175.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.4 m -65.33 -33.88 77.01 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.536 -1.211 . . . . 0.0 111.268 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.01 -39.65 90.42 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.484 0.714 . . . . 0.0 112.07 -176.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.454 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -69.24 -57.52 5.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 88.5 mt -56.56 -35.22 43.95 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 124.215 1.006 . . . . 0.0 112.877 -172.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -87.35 -48.19 8.19 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -92.57 -61.88 1.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 112.762 0.653 . . . . 0.0 112.762 -171.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 45.8 t -92.64 1.28 57.35 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.29 0.636 . . . . 0.0 111.954 -169.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -152.92 47.37 0.38 Allowed Pre-proline 0 CA--C 1.563 1.469 0 C-N-CA 123.262 0.625 . . . . 0.0 109.62 -177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -71.25 -57.08 0.1 Allowed 'Trans proline' 0 C--N 1.381 2.264 0 C-N-CA 122.858 2.372 . . . . 0.0 114.494 -163.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' ARG . 38.8 m -104.15 85.79 2.44 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 123.352 0.661 . . . . 0.0 110.595 -171.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -71.88 0.58 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.267 172.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -106.76 2.64 25.8 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.585 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' SER . 7.6 tpm_? . . . . . 0 CA--C 1.553 1.068 0 C-N-CA 123.468 0.707 . . . . 0.0 111.157 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 mtm . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.18 101.01 2.48 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -79.62 -61.7 1.92 Allowed 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -175.66 -23.41 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.445 1.098 . . . . 0.0 111.167 173.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 m80 74.37 169.64 0.29 Allowed 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 125.562 1.545 . . . . 0.0 112.442 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -91.83 95.04 9.62 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.81 0.844 . . . . 0.0 109.324 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -106.44 115.7 30.66 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.772 0.829 . . . . 0.0 110.437 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -138.65 31.64 2.28 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.483 1.113 . . . . 0.0 109.308 174.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -63.92 120.23 11.55 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.514 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -163.79 146.64 9.72 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 108.797 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 72.9 151.36 0.11 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.901 1.28 . . . . 0.0 111.107 177.768 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.444 ' N ' ' SD ' ' A' ' 11' ' ' MET . . . 106.22 33.53 3.41 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-O 119.896 -0.391 . . . . 0.0 112.489 178.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.56 179.57 0.21 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.016 1.326 . . . . 0.0 111.472 178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.34 54.27 0.08 OUTLIER Glycine 0 C--N 1.345 1.067 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.14 111.46 3.42 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 109.326 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 72.41 1.94 Allowed Glycine 0 C--N 1.343 0.956 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.63 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.83 137.09 57.89 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.527 0.731 . . . . 0.0 111.15 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.74 77.45 0.51 Allowed Glycine 0 C--N 1.347 1.152 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.048 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.42 161.82 4.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 123.759 0.824 . . . . 0.0 111.551 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 pp -146.75 -179.81 7.05 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.667 -174.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.3 14.18 24.78 Favored Glycine 0 C--N 1.343 0.934 0 CA-C-O 119.556 -0.58 . . . . 0.0 113.437 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp 59.0 81.9 0.15 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 124.581 1.153 . . . . 0.0 110.983 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -91.69 107.93 19.55 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.191 0.596 . . . . 0.0 111.111 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.03 173.02 11.3 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.752 168.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.2 t -63.23 90.82 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.412 0.685 . . . . 0.0 110.562 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.8 151.84 28.55 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.637 0.775 . . . . 0.0 110.175 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -147.29 81.3 1.53 Allowed 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.2 p -167.64 -178.16 3.8 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.086 0.954 . . . . 0.0 110.046 -178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -82.49 138.15 34.42 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.154 0.982 . . . . 0.0 109.774 176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.0 mt -133.09 140.8 47.85 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.617 0.767 . . . . 0.0 109.986 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.6 t -80.99 100.51 0.7 Allowed Pre-proline 0 N--CA 1.479 0.989 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 166.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.546 ' HD2' HD21 ' A' ' 48' ' ' LEU . 24.4 Cg_endo -56.43 -19.54 29.33 Favored 'Trans proline' 0 C--N 1.381 2.246 0 C-N-CA 123.366 2.711 . . . . 0.0 114.79 -169.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 t -82.03 -27.34 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 C-N-CA 123.363 0.665 . . . . 0.0 111.453 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.6 129.22 20.3 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.015 0.526 . . . . 0.0 110.338 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.69 109.64 2.65 Favored Glycine 0 C--N 1.353 1.508 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -164.91 119.41 1.32 Allowed 'General case' 0 C--O 1.244 0.795 0 C-N-CA 124.059 0.943 . . . . 0.0 109.103 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.5 p -79.69 143.01 34.98 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.584 0.754 . . . . 0.0 110.704 -177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -139.98 131.72 27.41 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.508 1.123 . . . . 0.0 109.43 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.05 15.66 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.4 m -81.93 157.05 24.45 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 114.937 -1.028 . . . . 0.0 112.084 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -74.18 -54.45 7.72 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.889 0.876 . . . . 0.0 110.027 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.37 -28.76 67.7 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 124.248 0.968 . . . . 0.0 113.556 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.71 -40.53 88.47 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.648 0.779 . . . . 0.0 111.078 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -65.77 -50.19 65.64 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.31 0.644 . . . . 0.0 110.316 174.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -60.2 -41.54 93.18 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.793 -1.094 . . . . 0.0 111.533 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -30.05 63.15 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 123.435 0.459 . . . . 0.0 110.864 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -70.04 -21.36 63.19 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 119.287 -0.387 . . . . 0.0 110.579 178.214 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.9 mt -87.53 -65.46 1.01 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.657 0.783 . . . . 0.0 110.919 171.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -53.6 -43.58 68.74 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.439 1.495 . . . . 0.0 111.445 -171.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.56 -70.36 0.58 Allowed 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.758 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.9 mt -80.7 -68.78 0.65 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.03 0.532 . . . . 0.0 112.014 -167.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -90.8 61.33 4.72 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.504 1.122 . . . . 0.0 111.383 -171.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.638 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -96.76 1.27 50.65 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 114.208 -1.36 . . . . 0.0 112.423 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -21.19 55.77 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 122.847 0.459 . . . . 0.0 111.578 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -109.61 -10.95 14.82 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.13 0.572 . . . . 0.0 111.869 -177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 53' ' ' ALA . 20.2 m -111.18 155.64 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-O 121.246 0.545 . . . . 0.0 109.724 176.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.12 84.58 47.77 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 109.556 -172.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 65.6 Cg_endo -73.34 116.03 4.55 Favored 'Trans proline' 0 C--N 1.373 1.842 0 C-N-CA 122.364 2.042 . . . . 0.0 111.339 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 37.9 t -60.14 102.54 0.17 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 172.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -40.02 -50.23 2.55 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -151.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.8 OUTLIER -84.39 -10.66 57.35 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.981 -164.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 15.6 p -131.36 161.6 61.02 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 124.192 0.997 . . . . 0.0 109.509 -175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -77.5 -0.27 10.46 Favored 'Trans proline' 0 C--N 1.381 2.274 0 C-N-CA 122.338 2.025 . . . . 0.0 114.005 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -64.66 97.98 0.24 Allowed 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.955 0.902 . . . . 0.0 110.728 178.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 49.0 m -103.03 139.38 38.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.806 0.842 . . . . 0.0 110.034 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -126.28 149.59 49.01 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.089 0.956 . . . . 0.0 109.578 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -91.52 18.03 7.88 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 122.987 0.515 . . . . 0.0 110.835 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.448 ' HB3' ' HG2' ' A' ' 70' ' ' PRO . 50.2 m -147.78 136.43 21.79 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.841 0.856 . . . . 0.0 109.762 -176.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.421 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 22.9 t -67.52 -35.59 8.56 Favored Pre-proline 0 CA--C 1.566 1.566 0 C-N-CA 123.911 0.885 . . . . 0.0 112.144 175.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' A' ' 68' ' ' SER . 7.2 Cg_endo -51.59 -52.84 8.14 Favored 'Trans proline' 0 C--N 1.403 3.431 0 C-N-CA 122.182 1.921 . . . . 0.0 111.693 165.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.37 -35.76 89.33 Favored Glycine 0 C--N 1.358 1.759 0 O-C-N 123.883 0.739 . . . . 0.0 113.67 -178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.8 tp -54.09 -55.32 28.63 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.958 1.303 . . . . 0.0 110.732 174.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -75.01 -24.69 58.43 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 114.559 -1.201 . . . . 0.0 110.831 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -61.28 -38.72 87.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.982 0.513 . . . . 0.0 111.444 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 7.8 t-80 -65.24 -38.83 91.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.501 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.1 mt -58.94 -62.96 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 C-N-CA 124.359 1.064 . . . . 0.0 111.024 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -67.54 -32.15 72.73 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.673 0.789 . . . . 0.0 112.747 -174.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.675 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 34.8 ttpt -90.19 -59.59 2.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.324 0.649 . . . . 0.0 111.978 -172.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 80.6 m -142.21 42.95 1.66 Allowed 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 4.0 t60 -139.27 76.1 32.57 Favored Pre-proline 0 N--CA 1.479 1.003 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 168.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -92.58 20.1 0.84 Allowed 'Trans proline' 0 C--N 1.379 2.146 0 C-N-CA 123.244 2.629 . . . . 0.0 114.062 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.4 p -93.51 -2.49 54.3 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.007 0.523 . . . . 0.0 112.193 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -109.15 23.71 14.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.428 0.691 . . . . 0.0 111.681 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -70.65 -45.42 65.18 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.485 0.714 . . . . 0.0 110.433 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 123.855 0.862 . . . . 0.0 108.693 178.064 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtt . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.518 0.199 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.78 -104.05 1.84 Allowed Glycine 0 C--N 1.341 0.843 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -172.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 68.31 143.7 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 125.063 1.345 . . . . 0.0 112.465 175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -68.49 103.52 1.69 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.232 0.613 . . . . 0.0 110.876 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -76.51 88.73 3.25 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 174.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -147.63 110.68 4.81 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.395 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -104.02 140.92 37.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.646 1.179 . . . . 0.0 110.179 177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -100.07 163.25 12.51 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.985 0.914 . . . . 0.0 109.59 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.4 t -88.65 146.42 25.09 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -164.61 118.75 1.36 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.429 0.691 . . . . 0.0 110.089 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.93 154.43 20.83 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.912 0.485 . . . . 0.0 109.943 172.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.56 80.15 0.05 OUTLIER Glycine 0 C--N 1.342 0.91 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -113.82 140.42 48.34 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.639 0.776 . . . . 0.0 110.038 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.92 111.66 2.15 Favored Glycine 0 C--N 1.344 0.981 0 O-C-N 123.68 0.613 . . . . 0.0 112.363 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -86.91 125.78 34.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.439 0.696 . . . . 0.0 109.721 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.61 154.31 21.27 Favored Glycine 0 C--N 1.341 0.847 0 O-C-N 123.118 0.261 . . . . 0.0 113.147 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.38 96.91 2.09 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.444 1.098 . . . . 0.0 109.317 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.88 158.51 27.16 Favored Glycine 0 C--N 1.344 1.009 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.348 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.7 m -82.4 167.42 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 123.31 0.644 . . . . 0.0 111.769 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.3 mt -115.42 -179.77 3.74 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.994 0.918 . . . . 0.0 109.813 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.04 123.21 4.22 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.014 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.0 mt -90.21 179.15 5.98 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.519 0.728 . . . . 0.0 111.113 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.9 m -140.13 156.14 46.68 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.116 0.966 . . . . 0.0 109.726 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 64.76 93.19 0.06 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.746 1.218 . . . . 0.0 111.846 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -122.52 166.63 14.49 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.916 0.886 . . . . 0.0 109.791 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.9 173.71 7.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.509 0.724 . . . . 0.0 111.487 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -90.6 104.69 17.24 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.217 1.007 . . . . 0.0 110.498 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.0 m -120.0 167.25 12.36 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.84 0.856 . . . . 0.0 109.731 175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 -94.18 115.09 27.32 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 174.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mp -102.32 137.17 40.92 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.823 0.449 . . . . 0.0 110.3 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 20.2 t -55.53 108.59 1.22 Allowed Pre-proline 0 N--CA 1.483 1.177 0 C-N-CA 123.736 0.814 . . . . 0.0 108.822 173.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' HD11 ' A' ' 48' ' ' LEU . 20.4 Cg_endo -57.09 -3.16 0.65 Allowed 'Trans proline' 0 N--CA 1.506 2.213 0 C-N-CA 123.943 3.095 . . . . 0.0 116.886 -166.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.46 -13.82 10.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.434 0 CA-C-N 118.293 0.497 . . . . 0.0 111.493 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.561 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 28.0 p -144.07 125.62 14.93 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.595 0.758 . . . . 0.0 109.874 171.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.81 2.13 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 110.333 -1.107 . . . . 0.0 110.333 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -170.91 97.6 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -164.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 p -77.09 136.51 38.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.651 0.78 . . . . 0.0 112.618 -170.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -131.76 148.59 52.58 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.259 1.024 . . . . 0.0 109.399 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.96 -29.85 62.21 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.229 0.612 . . . . 0.0 110.931 176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.3 m -117.57 156.66 27.71 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 123.719 0.808 . . . . 0.0 110.807 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -78.34 -22.68 47.66 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.085 173.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.99 -41.67 99.68 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 121.239 0.355 . . . . 0.0 112.662 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.77 -18.59 59.47 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.772 0.829 . . . . 0.0 111.142 177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -78.96 -51.01 10.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.437 0.695 . . . . 0.0 110.749 176.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.611 ' HA ' HD12 ' A' ' 48' ' ' LEU . 23.3 mm-40 -68.91 -23.32 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.949 -173.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -39.03 76.43 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.117 0.261 . . . . 0.0 110.886 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 5.5 t-80 -66.46 -26.03 67.0 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.441 0.639 . . . . 0.0 109.829 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 45' ' ' GLU . 71.0 mt -74.46 -65.6 0.84 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.48 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.417 HH11 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -62.13 -19.45 63.04 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -173.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD23 HH11 ' A' ' 49' ' ' ARG . 95.8 mt -79.13 -76.06 0.22 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 122.564 0.346 . . . . 0.0 110.683 171.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.0 mt -100.79 -52.93 3.19 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.042 0.537 . . . . 0.0 111.816 -173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.561 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 31.3 m170 -87.25 47.61 1.53 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.293 1.037 . . . . 0.0 112.501 -169.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -91.16 4.14 52.99 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.79 -172.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.33 71.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.37 0.268 . . . . 0.0 111.32 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -82.18 -29.25 31.61 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.874 0.469 . . . . 0.0 111.826 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HD13 ' A' ' 48' ' ' LEU . 32.1 m -103.82 159.02 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 121.611 0.719 . . . . 0.0 112.24 -176.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 92.4 m-85 -132.68 85.33 47.65 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.282 1.033 . . . . 0.0 109.779 -172.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.93 117.41 4.91 Favored 'Trans proline' 0 C--N 1.37 1.694 0 C-N-CA 122.591 2.194 . . . . 0.0 112.532 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 5.7 t -67.91 99.07 0.8 Allowed 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 165.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -62.89 -26.45 68.79 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -151.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.45 -23.31 65.5 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.715 0.806 . . . . 0.0 111.187 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.438 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 25.0 p -124.42 137.79 29.85 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 124.395 1.078 . . . . 0.0 108.963 175.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.65 76.87 0.75 Allowed 'Trans proline' 0 C--N 1.373 1.843 0 C-N-CA 122.345 2.03 . . . . 0.0 111.486 171.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.08 107.33 4.04 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.113 0.965 . . . . 0.0 109.657 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.3 p -93.01 140.73 29.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.659 0.742 . . . . 0.0 111.598 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -110.03 168.46 9.41 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.308 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -116.86 6.32 13.1 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 121.297 0.57 . . . . 0.0 109.926 176.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.8 p -133.33 139.25 46.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.312 1.045 . . . . 0.0 110.145 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.45 ' N ' ' HD2' ' A' ' 70' ' ' PRO . 15.8 m -62.59 -39.99 60.37 Favored Pre-proline 0 CA--C 1.568 1.654 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.453 176.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 69' ' ' SER . 13.5 Cg_endo -56.25 -45.6 36.7 Favored 'Trans proline' 0 C--N 1.407 3.606 0 C-N-CA 122.572 2.181 . . . . 0.0 112.028 171.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.09 -38.5 93.14 Favored Glycine 0 C--N 1.357 1.743 0 O-C-N 123.452 0.47 . . . . 0.0 113.268 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.0 tp -54.94 -55.91 25.41 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.367 1.067 . . . . 0.0 110.867 172.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 m -68.45 -26.02 65.29 Favored 'General case' 0 CA--C 1.55 0.968 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.527 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -72.11 -39.03 69.16 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.122 0.569 . . . . 0.0 111.479 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.4 t-80 -72.99 -22.34 60.69 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 121.004 -0.278 . . . . 0.0 110.29 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.8 mt -76.58 -66.98 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 171.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -45.4 -41.89 9.66 Favored 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 124.679 1.191 . . . . 0.0 113.326 -174.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -92.62 -60.01 1.93 Allowed 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.975 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.3 t -101.7 -15.72 16.9 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -161.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.438 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 5.8 m80 -140.78 54.11 4.43 Favored Pre-proline 0 N--CA 1.483 1.204 0 C-N-CA 124.35 1.06 . . . . 0.0 108.717 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.86 86.24 1.53 Allowed 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 123.315 2.677 . . . . 0.0 114.368 -159.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m 53.76 84.68 0.06 Allowed 'General case' 0 C--O 1.242 0.679 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -67.77 -2.22 6.74 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 114.677 -1.147 . . . . 0.0 112.934 -174.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -89.72 82.54 6.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.102 0.961 . . . . 0.0 109.125 173.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 . . . . . 0 CA--C 1.567 1.633 0 C-N-CA 124.557 1.143 . . . . 0.0 111.257 178.144 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.74 170.97 44.05 Favored Glycine 0 C--N 1.344 1.01 0 O-C-N 123.575 0.547 . . . . 0.0 112.667 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -131.91 127.66 36.9 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.155 0.982 . . . . 0.0 109.335 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -135.25 116.76 14.77 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.941 0.896 . . . . 0.0 109.232 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -84.5 136.66 33.73 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-O 121.055 0.455 . . . . 0.0 110.496 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -108.27 72.54 0.84 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -124.1 124.51 42.67 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 114.849 -1.068 . . . . 0.0 109.398 -173.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.7 m170 62.97 93.79 0.05 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.699 1.199 . . . . 0.0 110.237 -167.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.1 m -87.13 160.18 18.63 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.695 0.798 . . . . 0.0 111.099 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -75.27 80.83 2.38 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.303 0.641 . . . . 0.0 109.772 172.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.5 ptt? -149.68 69.4 1.03 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 122.803 1.287 . . . . 0.0 108.242 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -133.5 125.44 3.99 Favored Glycine 0 C--N 1.339 0.731 0 CA-C-N 114.528 -1.215 . . . . 0.0 111.88 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -150.62 119.53 6.65 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.387 1.075 . . . . 0.0 108.225 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.38 72.14 2.7 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -74.97 143.58 43.58 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.458 0.703 . . . . 0.0 110.415 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.17 -145.72 14.54 Favored Glycine 0 C--N 1.338 0.66 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -169.86 146.81 3.24 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.718 1.207 . . . . 0.0 109.114 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.27 173.51 14.89 Favored Glycine 0 N--CA 1.471 0.998 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.2 m -79.64 -175.85 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.216 0.606 . . . . 0.0 110.065 173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' H ' HD12 ' A' ' 20' ' ' LEU . 4.8 mp -67.38 110.33 3.53 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 176.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.4 77.27 0.89 Allowed Glycine 0 C--N 1.345 1.037 0 O-C-N 123.76 0.663 . . . . 0.0 112.623 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.2 tp -67.67 -46.91 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.2 p -89.36 82.61 6.46 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.887 172.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.06 -21.12 61.57 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.798 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 p -65.52 97.5 0.31 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.526 0.73 . . . . 0.0 109.953 173.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.564 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -141.13 176.07 9.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.574 0.75 . . . . 0.0 110.697 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 55.3 mt-10 -121.07 -78.53 0.6 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.725 178.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 73.3 m -148.72 -69.7 0.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.278 0.631 . . . . 0.0 110.008 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -82.87 116.25 22.1 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.564 HD21 ' HB1' ' A' ' 26' ' ' ALA . 48.9 mt -118.11 127.64 53.97 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 13.7 t -55.51 107.43 0.88 Allowed Pre-proline 0 N--CA 1.484 1.234 0 O-C-N 124.141 0.901 . . . . 0.0 109.232 174.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' HD2' HD21 ' A' ' 48' ' ' LEU . 65.2 Cg_exo -46.46 -26.85 4.48 Favored 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 123.772 2.981 . . . . 0.0 116.014 -174.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 55' ' ' GLN . 6.6 t -84.78 -21.19 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.427 0 C-N-CA 123.046 0.538 . . . . 0.0 111.641 -177.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.494 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 19.9 p -152.0 119.02 5.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.466 0.706 . . . . 0.0 109.551 173.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.28 109.94 2.21 Favored Glycine 0 C--N 1.363 2.048 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -153.32 121.74 6.28 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -167.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 27' ' ' GLU . 21.4 m -66.61 122.73 18.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 124.294 0.996 . . . . 0.0 111.968 -170.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -136.8 136.9 39.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 0.0 108.812 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.67 23.83 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.326 0.65 . . . . 0.0 110.457 174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.8 m -99.92 152.37 20.24 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.016 0.927 . . . . 0.0 111.538 -176.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -69.82 -51.17 35.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.016 0.926 . . . . 0.0 110.592 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.89 -21.63 67.76 Favored Glycine 0 C--N 1.345 1.044 0 CA-C-N 115.673 -0.694 . . . . 0.0 113.266 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 46' ' ' ARG . . . -71.6 -35.83 70.62 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.364 0.666 . . . . 0.0 110.729 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.52 -48.47 72.39 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.237 170.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.3 -27.92 66.72 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.463 -173.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 43' ' ' ALA . 12.9 ptm180 -69.93 -32.47 70.76 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 118.17 0.441 . . . . 0.0 110.513 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -69.36 -39.42 78.1 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.326 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.588 HD21 ' HD2' ' A' ' 32' ' ' PRO . 92.4 mt -70.38 -38.4 74.7 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.076 0.95 . . . . 0.0 112.068 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -39.29 23.89 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.098 0.559 . . . . 0.0 110.65 -172.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.2 -59.02 1.8 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.59 0.756 . . . . 0.0 111.574 -172.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.53 -7.55 25.77 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -165.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.494 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -147.88 37.1 0.87 Allowed 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.297 0.639 . . . . 0.0 110.984 -175.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.18 85.95 3.64 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.058 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.2 -56.33 0.09 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.689 0.796 . . . . 0.0 109.988 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' HB2' HG22 ' A' ' 33' ' ' VAL . 84.7 mm-40 -90.79 -0.73 57.8 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.994 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.518 HG11 ' HB3' ' A' ' 48' ' ' LEU . 32.2 m -109.44 145.81 15.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 123.607 0.763 . . . . 0.0 109.68 -178.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HB3' ' HB2' ' A' ' 72' ' ' LEU . 88.5 m-85 -133.16 82.52 53.67 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 124.22 1.008 . . . . 0.0 110.181 -172.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -78.32 116.3 3.86 Favored 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 122.8 2.333 . . . . 0.0 111.766 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 1.5 t -57.84 109.58 0.75 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 175.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -32.44 -46.65 0.14 Allowed 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 117.268 2.321 . . . . 0.0 117.268 -159.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -84.85 -8.63 58.71 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -170.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.529 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 28.1 p -133.52 153.13 80.19 Favored Pre-proline 0 N--CA 1.482 1.169 0 C-N-CA 123.154 0.582 . . . . 0.0 110.449 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.57 9.05 2.36 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.798 2.332 . . . . 0.0 113.341 174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.489 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -61.63 93.66 0.04 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 123.875 0.87 . . . . 0.0 109.682 171.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -92.14 113.41 25.67 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.191 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -90.47 167.25 12.74 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.107 176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -121.8 25.45 9.2 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 79.0 p -144.12 135.73 25.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.498 1.119 . . . . 0.0 108.844 178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.5 m -64.61 -41.18 55.82 Favored Pre-proline 0 CA--C 1.563 1.462 0 C-N-CA 124.032 0.933 . . . . 0.0 111.864 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.76 -51.56 10.84 Favored 'Trans proline' 0 C--N 1.405 3.509 0 C-N-CA 122.367 2.044 . . . . 0.0 111.789 167.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.07 -36.32 87.93 Favored Glycine 0 C--N 1.359 1.859 0 O-C-N 123.71 0.631 . . . . 0.0 113.554 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.511 ' HB2' ' HB3' ' A' ' 57' ' ' PHE . 55.9 tp -54.12 -57.07 12.49 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.603 1.161 . . . . 0.0 110.903 173.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 m -72.89 -22.85 60.69 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.171 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.85 -51.66 66.14 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.021 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.51 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 11.5 t-80 -66.68 -21.95 66.09 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 118.222 0.465 . . . . 0.0 110.698 -176.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.9 mt -70.77 -57.35 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 C-N-CA 124.042 0.937 . . . . 0.0 110.626 173.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.419 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER -71.34 -16.57 62.44 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 122.981 0.512 . . . . 0.0 111.31 -176.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -90.23 -51.15 5.59 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.161 0.985 . . . . 0.0 110.16 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.9 t -147.08 4.18 0.82 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.607 0.965 . . . . 0.0 113.607 -162.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.529 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 3.4 m170 -145.41 73.73 14.12 Favored Pre-proline 0 N--CA 1.493 1.687 0 CA-C-N 119.181 0.9 . . . . 0.0 112.441 -178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -88.62 -149.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 123.552 2.834 . . . . 0.0 110.872 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.1 t 68.25 21.1 8.6 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.052 0.941 . . . . 0.0 111.5 175.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.44 174.26 8.32 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.892 0.877 . . . . 0.0 110.427 179.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -83.96 -59.86 2.28 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 . . . . . 0 C--O 1.254 1.297 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.496 176.633 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.595 0.236 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 58.17 4.97 Favored Glycine 0 C--N 1.347 1.153 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.249 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -70.6 88.85 0.7 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 123.573 0.749 . . . . 0.0 109.626 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -103.67 104.09 14.09 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.686 0.794 . . . . 0.0 110.185 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -144.2 108.55 4.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.91 0.884 . . . . 0.0 109.764 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -122.86 96.16 4.91 Favored 'General case' 0 C--O 1.242 0.676 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -103.14 100.87 10.8 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -131.69 128.08 38.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 109.426 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.4 p -85.13 -173.09 4.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.964 0.906 . . . . 0.0 111.046 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -143.65 144.7 32.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 109.405 175.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -124.57 125.83 44.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.517 0.727 . . . . 0.0 109.506 -176.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -148.38 148.99 20.96 Favored Glycine 0 C--N 1.341 0.859 0 O-C-N 123.475 0.485 . . . . 0.0 112.076 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -149.24 -174.48 4.67 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.867 0.867 . . . . 0.0 109.829 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.72 133.96 1.85 Allowed Glycine 0 C--N 1.342 0.911 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -88.32 161.66 17.01 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.802 0.841 . . . . 0.0 110.644 174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -123.96 164.61 17.13 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.724 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.77 143.94 24.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.313 0.645 . . . . 0.0 110.382 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.51 117.89 0.78 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.359 -0.697 . . . . 0.0 111.359 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.41 156.5 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 123.995 0.918 . . . . 0.0 109.571 174.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -77.23 135.41 38.47 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 122.937 0.495 . . . . 0.0 110.097 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.9 92.17 1.78 Allowed Glycine 0 C--N 1.34 0.765 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.221 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.12 121.31 25.4 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.85 0.46 . . . . 0.0 109.878 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -115.52 96.41 5.62 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 173.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.44 91.15 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.065 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.3 m -80.67 84.96 6.12 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.028 176.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.24 89.13 6.5 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.366 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.502 ' HG2' ' SG ' ' A' ' 28' ' ' CYS . 36.8 tt0 -161.64 139.46 9.03 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.781 0.832 . . . . 0.0 109.283 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.502 ' SG ' ' HG2' ' A' ' 27' ' ' GLU . 61.3 m 73.36 178.26 0.23 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 124.79 1.236 . . . . 0.0 111.209 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -73.22 119.51 17.56 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 121.32 0.581 . . . . 0.0 110.631 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.1 145.47 28.71 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.149 0.98 . . . . 0.0 109.075 -174.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.2 t -56.04 101.47 0.26 Allowed Pre-proline 0 N--CA 1.485 1.302 0 O-C-N 123.908 0.755 . . . . 0.0 109.255 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.534 ' HD2' HD11 ' A' ' 48' ' ' LEU . 40.5 Cg_endo -62.05 -1.62 2.4 Favored 'Trans proline' 0 C--N 1.375 1.921 0 C-N-CA 123.79 2.993 . . . . 0.0 116.759 -159.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.415 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 20.8 t -103.27 -31.38 2.92 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.546 0 CA-C-N 118.588 0.631 . . . . 0.0 111.23 175.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.532 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.2 p -125.28 131.36 53.1 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 122.985 0.514 . . . . 0.0 110.037 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.19 110.46 2.71 Favored Glycine 0 C--N 1.352 1.439 0 N-CA-C 110.55 -1.02 . . . . 0.0 110.55 175.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -175.81 93.88 0.06 Allowed 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -164.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 p -76.81 140.51 40.72 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.04 0.936 . . . . 0.0 112.725 -172.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -138.04 136.33 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.456 1.102 . . . . 0.0 110.512 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.97 -33.47 33.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.793 0.837 . . . . 0.0 110.226 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.4 t -91.29 140.06 30.15 Favored 'General case' 0 C--O 1.244 0.781 0 C-N-CA 123.54 0.736 . . . . 0.0 110.194 177.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -61.74 -48.29 81.36 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.658 0.783 . . . . 0.0 110.243 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.48 -30.75 77.36 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.97 -177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.31 68.3 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.238 0.615 . . . . 0.0 111.104 177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -70.65 -48.82 53.01 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.962 0.505 . . . . 0.0 110.233 172.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.09 -38.69 89.78 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 114.817 -1.083 . . . . 0.0 111.712 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -68.59 -26.55 65.43 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.533 0.52 . . . . 0.0 111.782 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.8 t-80 -68.91 -50.13 52.18 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 173.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' HD2' ' A' ' 32' ' ' PRO . 97.1 mt -59.98 -34.11 72.85 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.996 0.918 . . . . 0.0 112.168 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -80.31 -38.06 31.44 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.808 0.843 . . . . 0.0 109.575 -174.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.52 -71.36 0.76 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.299 0.64 . . . . 0.0 111.418 -171.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -89.9 0.54 57.0 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 123.285 0.634 . . . . 0.0 112.28 -166.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.532 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -140.32 26.9 2.15 Favored 'General case' 0 C--O 1.244 0.772 0 C-N-CA 124.116 0.966 . . . . 0.0 108.935 -179.392 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.14 81.57 1.28 Allowed 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.218 1.007 . . . . 0.0 110.609 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.24 -46.91 0.07 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.694 0.798 . . . . 0.0 110.113 -175.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -89.14 0.85 56.39 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.416 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 HG11 ' HB3' ' A' ' 48' ' ' LEU . 28.4 m -105.79 150.22 8.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 C-N-CA 123.375 0.67 . . . . 0.0 110.795 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.646 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.9 m-85 -129.93 88.72 47.99 Favored Pre-proline 0 CA--C 1.552 1.024 0 C-N-CA 125.102 1.361 . . . . 0.0 109.46 -177.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 86.1 Cg_endo -79.58 131.84 9.6 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.18 2.586 . . . . 0.0 113.232 -178.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 36.0 t -69.97 107.37 3.56 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -56.08 -27.58 54.18 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 125.605 1.562 . . . . 0.0 114.117 -162.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -85.01 -19.49 31.94 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.291 0.636 . . . . 0.0 112.021 -170.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.579 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.0 p -132.51 157.46 78.24 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 123.85 0.86 . . . . 0.0 109.805 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.51 67.53 7.79 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.362 2.041 . . . . 0.0 111.365 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -129.81 94.7 3.79 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 124.419 1.088 . . . . 0.0 108.737 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 38.6 m -92.34 111.57 23.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.531 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -90.03 151.7 21.53 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -89.16 -10.99 45.12 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.106 0.562 . . . . 0.0 110.33 177.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.429 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 20.3 m -130.86 145.93 52.14 Favored 'General case' 0 C--O 1.244 0.803 0 C-N-CA 123.591 0.756 . . . . 0.0 110.578 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.7 p -69.2 -30.68 2.33 Favored Pre-proline 0 CA--C 1.571 1.767 0 N-CA-C 114.371 1.249 . . . . 0.0 114.371 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 75.1 Cg_exo -54.98 -51.83 9.38 Favored 'Trans proline' 0 C--N 1.402 3.374 0 CA-C-N 122.083 1.78 . . . . 0.0 111.993 170.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.89 -31.5 72.29 Favored Glycine 0 C--N 1.359 1.852 0 O-C-N 123.98 0.8 . . . . 0.0 113.509 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.646 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -56.75 -57.6 11.72 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.829 0.852 . . . . 0.0 110.479 172.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.7 m -68.02 -30.35 69.57 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.73 -1.123 . . . . 0.0 111.117 -177.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.58 -37.22 79.67 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.436 0.694 . . . . 0.0 111.073 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.411 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 3.1 t-80 -69.37 -26.45 64.67 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.076 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 62.1 mt -71.41 -64.07 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -55.88 -35.22 66.26 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.09 0.956 . . . . 0.0 112.65 -174.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -93.47 -60.57 1.74 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.439 0.696 . . . . 0.0 112.343 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 49.0 t -118.61 9.05 12.1 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 -161.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.579 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -152.18 47.04 0.38 Allowed Pre-proline 0 CA--C 1.561 1.375 0 C-N-CA 123.597 0.759 . . . . 0.0 111.237 174.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 58.5 Cg_endo -95.86 164.83 1.36 Allowed 'Trans proline' 0 C--N 1.393 2.912 0 C-N-CA 122.626 2.217 . . . . 0.0 113.082 -177.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.8 t 58.43 54.18 5.76 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.444 1.098 . . . . 0.0 110.582 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.04 -42.12 69.91 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.806 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.444 ' H ' HD22 ' A' ' 84' ' ' ASN . 0.0 OUTLIER -70.55 92.47 0.84 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-O 121.86 0.838 . . . . 0.0 110.783 177.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 . . . . . 0 C--O 1.251 1.165 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 175.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 mmt . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 134.63 163.52 10.23 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.33 109.04 2.97 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -86.25 -64.01 1.22 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -109.15 111.43 23.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -150.68 -20.92 0.23 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -166.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.9 m80 65.24 172.9 0.21 Allowed 'General case' 0 N--CA 1.494 1.765 0 C-N-CA 124.54 1.136 . . . . 0.0 111.66 -171.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -84.96 117.5 23.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 m -72.55 151.9 42.15 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.803 0.841 . . . . 0.0 112.37 -174.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -109.25 144.6 37.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.247 1.019 . . . . 0.0 109.283 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 81.6 mtp -77.26 96.99 4.7 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.25 -32.65 81.46 Favored Glycine 0 C--N 1.351 1.404 0 O-C-N 123.497 0.498 . . . . 0.0 112.976 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.8 115.04 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.865 1.666 . . . . 0.0 111.976 177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.72 130.84 1.23 Allowed Glycine 0 C--N 1.339 0.717 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.201 178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -84.83 106.52 16.42 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.4 69.15 3.39 Favored Glycine 0 C--N 1.339 0.698 0 O-C-N 123.19 0.306 . . . . 0.0 112.432 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.68 -33.66 76.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.739 0.815 . . . . 0.0 111.326 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 162.93 56.47 0.02 OUTLIER Glycine 0 C--N 1.348 1.213 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.943 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 170.74 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 123.591 0.757 . . . . 0.0 110.841 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pp -148.95 167.38 25.92 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.745 0.818 . . . . 0.0 110.597 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.1 31.56 4.45 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tt -79.31 144.23 34.45 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 123.678 0.791 . . . . 0.0 109.418 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 t 82.43 -51.8 0.2 Allowed 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 126.016 1.727 . . . . 0.0 111.31 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.53 91.62 6.94 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.7 m -141.15 150.95 43.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.841 0.856 . . . . 0.0 110.218 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.26 163.05 17.09 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.383 0.673 . . . . 0.0 110.584 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.22 103.74 2.9 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.427 0.691 . . . . 0.0 110.286 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.423 ' HB2' ' OG ' ' A' ' 37' ' ' SER . 18.8 m -111.84 167.29 10.48 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 175.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -71.68 128.51 36.03 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-O 121.046 0.45 . . . . 0.0 111.345 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 60.7 mt -90.23 141.74 28.41 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.958 0.903 . . . . 0.0 110.866 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.7 t -65.93 111.87 7.5 Favored Pre-proline 0 N--CA 1.485 1.281 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 166.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD2' HD21 ' A' ' 48' ' ' LEU . 89.4 Cg_endo -72.8 26.3 0.29 Allowed 'Trans proline' 0 N--CA 1.502 1.986 0 C-N-CA 123.067 2.511 . . . . 0.0 114.939 -169.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.12 -16.78 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 C-N-CA 124.138 0.975 . . . . 0.0 110.138 172.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.715 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 31.1 p -147.12 141.05 25.88 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.287 0.635 . . . . 0.0 111.131 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.74 109.65 2.9 Favored Glycine 0 C--N 1.357 1.729 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -177.27 108.18 0.06 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -162.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.423 ' OG ' ' HB2' ' A' ' 28' ' ' CYS . 7.4 t -102.49 136.34 42.49 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.52 0.728 . . . . 0.0 111.184 -169.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -134.77 136.46 42.62 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.567 1.147 . . . . 0.0 110.154 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.63 -41.46 75.61 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.849 0.86 . . . . 0.0 110.34 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 m -103.29 126.67 50.58 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 174.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -69.97 -16.03 63.13 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 123.327 0.651 . . . . 0.0 111.841 -174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.49 -36.72 90.4 Favored Glycine 0 CA--C 1.535 1.329 0 N-CA-C 112.259 -0.336 . . . . 0.0 112.259 174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.03 -21.27 60.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.784 0.833 . . . . 0.0 111.085 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -83.44 -42.19 17.24 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.154 0.982 . . . . 0.0 110.459 177.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -69.63 -33.31 72.45 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.452 1.101 . . . . 0.0 111.056 -176.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 13.4 ptm180 -65.91 -32.79 74.5 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.332 176.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -38.7 91.97 Favored 'General case' 0 C--N 1.366 1.287 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.8 mt -68.34 -51.35 45.47 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.728 0.643 . . . . 0.0 112.135 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 40.0 ptt180 -75.06 -20.81 59.36 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -109.77 -77.7 0.59 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.83 0.452 . . . . 0.0 110.781 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.4 mt -82.32 -3.37 55.22 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.715 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -147.47 34.26 0.87 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.653 0.781 . . . . 0.0 111.613 -174.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.12 73.31 8.17 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.825 0.85 . . . . 0.0 110.204 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.65 -49.54 0.16 Allowed 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.027 0.931 . . . . 0.0 110.207 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -85.46 -26.6 26.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.854 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.453 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.0 m -88.52 143.26 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 122.61 0.364 . . . . 0.0 110.257 179.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.447 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.0 m-85 -126.5 84.41 62.44 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 124.326 1.05 . . . . 0.0 109.606 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.519 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.4 Cg_endo -73.15 126.66 11.32 Favored 'Trans proline' 0 C--N 1.37 1.67 0 C-N-CA 122.465 2.11 . . . . 0.0 111.493 177.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.533 ' HA ' HD12 ' A' ' 72' ' ' LEU . 36.1 t -52.68 103.1 0.06 Allowed 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.735 0.814 . . . . 0.0 109.298 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -46.07 -30.76 1.99 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 115.898 1.814 . . . . 0.0 115.898 -159.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.52 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 49.9 m-85 -84.23 -36.64 22.59 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 123.199 0.6 . . . . 0.0 111.595 -177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -123.82 139.25 31.96 Favored Pre-proline 0 N--CA 1.496 1.835 0 C-N-CA 122.951 0.5 . . . . 0.0 110.681 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -63.14 6.73 0.2 Allowed 'Trans proline' 0 N--CA 1.511 2.52 0 C-N-CA 123.99 3.127 . . . . 0.0 115.791 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.42 103.81 0.12 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.882 0.873 . . . . 0.0 110.521 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 46.5 m -91.89 117.65 29.99 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 111.184 -175.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -99.78 168.91 9.61 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.354 1.061 . . . . 0.0 109.997 177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -123.28 16.39 9.81 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.137 0.975 . . . . 0.0 109.998 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.4 m -147.42 145.32 29.19 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.916 0.886 . . . . 0.0 109.114 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.7 m -63.0 -43.83 83.25 Favored Pre-proline 0 CA--C 1.562 1.442 0 C-N-CA 123.859 0.863 . . . . 0.0 112.297 176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -63.14 -25.58 72.88 Favored 'Trans proline' 0 C--N 1.393 2.912 0 CA-C-N 121.106 1.431 . . . . 0.0 112.595 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.65 -43.44 85.26 Favored Glycine 0 C--N 1.353 1.509 0 O-C-N 123.517 0.511 . . . . 0.0 112.237 174.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 59' ' ' CYS . 45.4 tp -58.7 -50.41 74.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.916 1.286 . . . . 0.0 110.586 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -65.6 -47.2 76.52 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.504 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -61.73 -30.64 70.91 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.855 -167.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.452 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.9 t-80 -64.74 -40.65 95.68 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.633 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 53.9 mt -66.72 -35.95 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 124.2 1.0 . . . . 0.0 110.997 -176.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -84.18 -36.68 22.66 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.899 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 53.3 tttm -91.85 -58.78 2.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.692 0.797 . . . . 0.0 111.566 -169.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 74.6 m -128.56 24.29 5.81 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.465 0.706 . . . . 0.0 112.436 -168.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.633 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.8 t-160 -150.01 52.54 1.08 Allowed Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.785 0.434 . . . . 0.0 110.781 173.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.95 -31.23 12.83 Favored 'Trans proline' 0 C--N 1.392 2.821 0 C-N-CA 121.845 1.697 . . . . 0.0 111.225 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.1 m -83.41 79.37 9.44 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.8 89.12 0.39 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.275 1.03 . . . . 0.0 111.722 -170.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.509 ' HB2' ' HB3' ' A' ' 61' ' ' TYR . 54.5 t30 60.3 97.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.256 1.422 . . . . 0.0 112.213 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 . . . . . 0 C--O 1.248 1.018 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.519 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.7 mtp . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.28 25.21 71.35 Favored Glycine 0 C--N 1.347 1.18 0 O-C-N 123.658 0.599 . . . . 0.0 113.209 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -72.23 91.05 1.27 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.542 0.737 . . . . 0.0 109.738 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -113.83 172.62 6.87 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.03 0.932 . . . . 0.0 109.107 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -155.67 135.91 13.06 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 122.984 0.514 . . . . 0.0 110.23 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -129.37 75.7 1.67 Allowed 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 107.691 -1.225 . . . . 0.0 107.691 173.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -146.66 60.42 1.21 Allowed 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.957 0.903 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -150.64 77.6 1.29 Allowed 'General case' 0 C--O 1.241 0.613 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.408 174.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 p -94.02 66.76 3.61 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.976 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -94.69 96.03 9.13 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.987 -176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.9 ptm -114.63 178.42 4.29 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.987 0.915 . . . . 0.0 109.232 173.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.36 117.94 0.8 Allowed Glycine 0 C--N 1.339 0.709 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -79.8 171.6 14.91 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 117.22 0.51 . . . . 0.0 110.287 175.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.89 164.21 30.36 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.422 178.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.68 110.41 4.72 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -150.52 83.37 0.17 Allowed Glycine 0 C--N 1.344 0.996 0 O-C-N 123.415 0.447 . . . . 0.0 112.355 -174.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.59 -166.45 1.08 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.944 0.898 . . . . 0.0 110.002 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.5 30.1 2.52 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 122.996 0.331 . . . . 0.0 112.282 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.729 HG11 HG12 ' A' ' 33' ' ' VAL . 32.9 m -93.88 167.89 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 123.862 0.865 . . . . 0.0 110.688 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -126.71 96.08 4.54 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.54 0.736 . . . . 0.0 110.638 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.66 86.19 0.46 Allowed Glycine 0 C--N 1.344 0.983 0 N-CA-C 110.124 -1.19 . . . . 0.0 110.124 174.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.76 -29.87 62.46 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.747 0.819 . . . . 0.0 111.522 -173.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.6 p -150.29 -53.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.366 0.666 . . . . 0.0 109.727 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 56.94 33.86 23.94 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.364 1.066 . . . . 0.0 111.785 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -101.09 13.05 36.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.949 0.9 . . . . 0.0 111.409 -176.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.02 137.99 55.5 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.179 0.591 . . . . 0.0 110.441 178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -80.21 74.1 7.03 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.626 0.727 . . . . 0.0 109.764 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 96.6 m -162.72 164.07 26.57 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.402 1.481 . . . . 0.0 108.735 178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -73.73 114.86 12.47 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 36' ' ' GLU . 45.7 mt -97.7 128.48 44.41 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.035 -178.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 1.6 t -54.21 94.89 0.06 OUTLIER Pre-proline 0 N--CA 1.494 1.73 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.769 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -24.34 -48.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 1 C-N-CA 126.185 4.59 . . . . 0.0 116.805 -155.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.729 HG12 HG11 ' A' ' 19' ' ' VAL . 8.6 t -71.72 -50.13 41.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.002 -175.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -105.95 133.86 49.99 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 122.191 -0.318 . . . . 0.0 110.564 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.95 110.38 3.41 Favored Glycine 0 C--N 1.344 1.024 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 172.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -154.46 121.71 5.68 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m -79.93 113.38 18.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.224 0.61 . . . . 0.0 110.769 -170.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -120.6 125.55 48.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.808 0.843 . . . . 0.0 108.897 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.51 -36.75 52.23 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.028 -0.731 . . . . 0.0 109.028 172.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.4 m -86.28 119.23 26.33 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.51 174.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.37 -28.34 68.57 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 123.248 0.619 . . . . 0.0 111.312 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.12 -37.26 93.64 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-O 120.985 0.214 . . . . 0.0 112.785 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.88 -23.51 61.51 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.413 0.685 . . . . 0.0 111.303 178.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -70.04 -44.61 68.85 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.792 0.837 . . . . 0.0 110.471 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -65.94 -40.59 91.51 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.774 -174.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.4 ptm85 -68.36 -32.96 73.43 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.095 -177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 4.5 t-80 -66.54 -26.63 67.23 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 120.934 0.397 . . . . 0.0 110.505 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.55 -64.88 0.79 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.193 171.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -59.95 -21.37 61.1 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 123.201 0.6 . . . . 0.0 112.345 -172.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.65 -78.78 0.14 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.696 0.798 . . . . 0.0 111.088 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.2 mt -98.05 -45.64 6.18 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.966 0.506 . . . . 0.0 111.83 -172.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -92.92 38.35 1.03 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 122.108 0.956 . . . . 0.0 111.685 -170.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -89.62 5.38 45.96 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.24 176.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.89 -39.44 30.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -82.43 -38.82 23.47 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.831 0.453 . . . . 0.0 111.368 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG22 ' HA ' ' A' ' 53' ' ' ALA . 17.1 m -87.2 151.69 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 O-C-N 123.345 0.403 . . . . 0.0 110.122 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -121.28 88.45 45.7 Favored Pre-proline 0 N--CA 1.482 1.17 0 C-N-CA 123.966 0.906 . . . . 0.0 109.84 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.5 146.22 49.27 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.541 2.161 . . . . 0.0 112.338 178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' HD1' ' A' ' 61' ' ' TYR . 44.8 t -68.23 103.42 1.57 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 170.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.27 14.95 0.82 Allowed 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -162.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.3 m-85 -114.12 -34.44 5.36 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.334 1.054 . . . . 0.0 109.065 -172.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.0 p -131.98 143.53 49.39 Favored Pre-proline 0 CA--C 1.554 1.103 0 C-N-CA 124.502 1.121 . . . . 0.0 108.44 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.58 87.94 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.556 2.17 . . . . 0.0 112.471 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.18 105.32 2.11 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 124.713 1.205 . . . . 0.0 108.711 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.9 m -91.53 123.86 35.26 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.288 0.635 . . . . 0.0 110.542 -177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -106.62 151.96 24.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 175.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -81.15 -21.65 39.6 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.819 0.448 . . . . 0.0 111.284 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.6 m -142.64 159.98 41.19 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.084 0.554 . . . . 0.0 111.652 -170.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.9 m -60.82 -42.17 86.0 Favored Pre-proline 0 CA--C 1.56 1.336 0 C-N-CA 124.744 1.218 . . . . 0.0 112.886 178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -51.07 -45.82 34.49 Favored 'Trans proline' 0 C--N 1.4 3.248 0 C-N-CA 122.182 1.921 . . . . 0.0 112.778 168.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.23 -37.89 94.53 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.427 0.454 . . . . 0.0 112.662 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.37 -52.4 65.51 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.244 1.018 . . . . 0.0 110.176 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.8 m -67.88 -26.93 66.26 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.93 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -60.73 -41.31 95.08 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 123.242 0.617 . . . . 0.0 111.641 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.76 -46.32 72.39 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.0 mt -58.67 -30.42 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 124.686 1.194 . . . . 0.0 111.27 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' N ' HD22 ' A' ' 77' ' ' ASN . 0.8 OUTLIER -87.55 -41.82 13.19 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 123.329 0.652 . . . . 0.0 112.248 177.219 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -90.81 -63.09 1.32 Allowed 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.269 0.628 . . . . 0.0 112.616 -167.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 47.6 t -118.11 14.36 14.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.912 0.885 . . . . 0.0 110.773 -166.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.456 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -152.21 48.0 0.44 Allowed Pre-proline 0 CA--C 1.565 1.52 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.299 175.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -87.1 -4.3 7.85 Favored 'Trans proline' 0 C--N 1.387 2.584 0 C-N-CA 122.399 2.066 . . . . 0.0 113.172 -172.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 m -93.02 4.29 54.26 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.673 0.789 . . . . 0.0 111.703 -172.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 80' ' ' HIS . 91.3 mt-10 -57.07 128.7 38.3 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.893 0.877 . . . . 0.0 111.288 -177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -67.07 153.43 43.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.255 1.022 . . . . 0.0 112.019 -172.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 . . . . . 0 CA--C 1.559 1.309 0 C-N-CA 123.438 0.695 . . . . 0.0 109.761 176.647 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.18 -89.03 0.09 OUTLIER Glycine 0 C--N 1.34 0.775 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 59.83 63.4 1.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.408 1.083 . . . . 0.0 110.724 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -130.17 135.63 48.38 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.005 -179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -84.14 84.79 7.48 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.676 0.79 . . . . 0.0 110.08 -175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -126.66 111.48 14.35 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -91.06 48.37 1.51 Allowed 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.012 0.911 . . . . 0.0 110.309 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -174.7 154.68 2.02 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.303 177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -91.96 -172.07 3.05 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 172.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -131.74 81.76 1.99 Allowed 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.772 0.796 . . . . 0.0 109.723 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -68.7 137.6 54.25 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.576 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.22 10.37 13.29 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.58 -0.567 . . . . 0.0 113.399 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -160.66 -40.0 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.474 0.71 . . . . 0.0 110.229 176.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 113.26 -22.3 15.86 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.943 -0.365 . . . . 0.0 113.222 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.27 34.85 20.88 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.899 1.28 . . . . 0.0 112.879 174.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.42 75.14 2.25 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.296 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.91 172.05 9.89 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.669 0.787 . . . . 0.0 110.96 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.13 105.6 0.33 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -83.82 163.28 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 123.346 0.658 . . . . 0.0 111.114 -178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.9 mt -120.9 155.42 34.22 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.344 0.658 . . . . 0.0 111.054 -173.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.77 151.35 11.77 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.423 -0.808 . . . . 0.0 113.084 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.58 116.52 28.55 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 174.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 p -74.41 86.46 2.02 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.556 0.693 . . . . 0.0 110.193 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.64 141.29 35.7 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.472 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' ' 29' ' ' HIS . 43.3 p -159.85 59.16 0.37 Allowed 'General case' 0 C--O 1.242 0.689 0 C-N-CA 123.917 0.887 . . . . 0.0 109.793 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.18 -59.2 2.86 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.149 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -88.37 80.58 7.44 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 37' ' ' SER . 37.2 m 65.79 171.02 0.22 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.997 1.319 . . . . 0.0 111.914 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 25' ' ' SER . 65.5 m80 -80.05 118.63 21.94 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.233 0.54 . . . . 0.0 110.768 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 37' ' ' SER . 43.5 mt -90.31 142.22 27.94 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.616 -175.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 t -68.22 104.83 0.76 Allowed Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 163.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' HD2' HD21 ' A' ' 48' ' ' LEU . 19.6 Cg_endo -54.5 -19.06 16.61 Favored 'Trans proline' 0 N--CA 1.507 2.323 0 C-N-CA 123.674 2.916 . . . . 0.0 115.093 -167.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG21 ' HB3' ' A' ' 52' ' ' HIS . 6.2 t -81.51 -34.78 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.138 0 C-N-CA 123.514 0.726 . . . . 0.0 111.045 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 p -137.67 125.03 21.85 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.652 0.781 . . . . 0.0 109.729 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.81 110.62 2.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -167.66 110.39 0.64 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -170.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB3' ' HB2' ' A' ' 28' ' ' CYS . 69.0 m -71.74 141.47 49.77 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.86 0.864 . . . . 0.0 111.504 -177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -137.83 128.06 26.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.948 0.899 . . . . 0.0 109.599 173.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.55 -23.55 29.67 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.273 0.629 . . . . 0.0 110.802 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.4 m -98.8 141.96 30.94 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.576 0.75 . . . . 0.0 110.076 174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -62.25 -46.82 87.13 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.09 72.57 Favored Glycine 0 C--N 1.354 1.576 0 CA-C-N 115.182 -0.917 . . . . 0.0 113.693 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.45 -30.62 66.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.076 0.55 . . . . 0.0 110.681 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -70.83 -47.77 57.59 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.083 0.553 . . . . 0.0 109.869 173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.31 -38.38 86.63 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.916 -176.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -67.4 -36.06 80.53 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.221 0.325 . . . . 0.0 111.143 -176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -70.97 -24.78 62.48 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 32' ' ' PRO . 97.3 mt -85.2 -70.56 0.58 Allowed 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.654 0.596 . . . . 0.0 111.373 178.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -63.92 -25.3 68.08 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -169.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -85.22 -62.75 1.46 Allowed 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 174.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.0 mt -99.19 -52.08 3.63 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -165.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.461 ' HB3' HG21 ' A' ' 33' ' ' VAL . 20.5 m170 -107.63 49.65 0.8 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.585 1.154 . . . . 0.0 110.749 -171.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.53 -11.11 59.94 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 113.992 -1.458 . . . . 0.0 112.646 -174.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -40.53 95.48 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.078 0.951 . . . . 0.0 112.766 -175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -90.34 -12.37 37.91 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.187 0.595 . . . . 0.0 112.522 -174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG11 HD13 ' A' ' 48' ' ' LEU . 26.8 m -107.32 170.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 122.78 0.432 . . . . 0.0 110.557 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -130.97 85.86 53.72 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 109.37 -176.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 59.1 Cg_endo -71.25 128.57 14.84 Favored 'Trans proline' 0 C--N 1.371 1.722 0 C-N-CA 122.255 1.97 . . . . 0.0 111.101 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.509 ' HA ' HD12 ' A' ' 72' ' ' LEU . 40.6 t -51.12 103.2 0.05 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 173.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -43.56 -36.49 2.11 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -161.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 45.1 m-85 -88.6 -26.07 22.12 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.0 p -131.07 136.09 28.29 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-O 119.079 -0.486 . . . . 0.0 111.27 -176.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.49 95.1 0.12 Allowed 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 123.08 2.52 . . . . 0.0 112.678 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.33 109.16 1.49 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.472 1.109 . . . . 0.0 108.787 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 0.6 OUTLIER -91.2 135.58 33.68 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 121.39 0.614 . . . . 0.0 112.055 -174.571 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -122.5 125.21 45.31 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 114.253 -1.34 . . . . 0.0 107.755 173.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -79.33 8.53 5.94 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.305 0.574 . . . . 0.0 111.088 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 51.1 m -130.66 147.27 52.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.928 0.891 . . . . 0.0 110.447 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 16.4 m -66.2 -43.93 57.12 Favored Pre-proline 0 CA--C 1.572 1.811 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -64.86 -38.44 29.91 Favored 'Trans proline' 0 C--N 1.399 3.199 0 CA-C-N 121.743 1.658 . . . . 0.0 112.988 -178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.21 -34.0 86.42 Favored Glycine 0 C--N 1.359 1.827 0 O-C-N 123.317 0.385 . . . . 0.0 113.297 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 59' ' ' CYS . 27.3 tp -50.76 -56.87 10.04 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 125.002 1.321 . . . . 0.0 111.414 174.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -72.1 -35.52 69.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.026 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -68.95 -20.18 64.2 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 118.189 -0.91 . . . . 0.0 113.273 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 28.2 t-80 -66.21 -41.44 90.12 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 119.386 0.994 . . . . 0.0 109.11 173.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 25.8 mt -67.69 -38.84 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.889 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.68 -34.41 58.22 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.052 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -82.49 -61.94 1.75 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -171.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 35.4 t -140.62 11.05 2.27 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -166.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.741 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 5.6 t-160 -115.75 80.87 8.87 Favored Pre-proline 0 CA--C 1.551 0.992 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 176.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -84.75 -164.66 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.652 2.235 . . . . 0.0 111.537 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.8 m 75.25 -18.95 0.42 Allowed 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.394 1.477 . . . . 0.0 113.302 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.57 126.6 32.47 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.153 0.981 . . . . 0.0 109.815 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 51.2 t30 69.6 114.79 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 125.011 1.324 . . . . 0.0 112.389 175.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 172.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 158.57 79.38 0.03 OUTLIER Glycine 0 C--N 1.336 0.555 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -177.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -112.94 -4.59 13.9 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 123.607 0.763 . . . . 0.0 111.23 -176.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -69.25 108.84 3.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.364 0.666 . . . . 0.0 109.66 -175.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -117.23 105.82 12.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.791 . . . . 0.0 109.083 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -112.92 138.77 49.29 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.95 0.9 . . . . 0.0 110.933 -177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -103.51 179.14 4.36 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.908 0.883 . . . . 0.0 109.493 174.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -149.58 128.05 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.22 0.608 . . . . 0.0 109.875 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 m -125.7 137.55 53.84 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.474 1.11 . . . . 0.0 110.115 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -158.31 98.95 1.6 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -155.19 112.63 3.35 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.56 0.744 . . . . 0.0 109.29 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.54 86.97 0.08 OUTLIER Glycine 0 C--N 1.341 0.858 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -155.63 142.57 19.03 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.423 0.689 . . . . 0.0 109.77 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.0 80.76 0.03 OUTLIER Glycine 0 C--N 1.348 1.217 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 177.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -110.09 155.17 22.24 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 123.584 0.753 . . . . 0.0 110.185 174.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.28 143.36 17.94 Favored Glycine 0 C--N 1.343 0.917 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.39 177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.14 110.26 10.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.84 0.856 . . . . 0.0 108.979 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -142.6 34.85 1.77 Allowed Glycine 0 C--N 1.351 1.411 0 N-CA-C 112.302 -0.319 . . . . 0.0 112.302 -176.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.7 m -93.87 170.96 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 C-N-CA 124.015 0.926 . . . . 0.0 111.334 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.55 172.0 8.16 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.438 1.095 . . . . 0.0 110.393 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.17 49.53 0.1 Allowed Glycine 0 C--N 1.343 0.962 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.193 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tt -88.12 108.91 19.5 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -91.72 75.39 5.76 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.526 0.679 . . . . 0.0 110.323 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.63 132.77 37.2 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.234 177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 27.0 t -163.6 164.55 24.08 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.674 0.79 . . . . 0.0 109.702 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.99 -66.17 0.1 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 0.0 110.529 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -96.5 67.84 2.47 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.888 0.875 . . . . 0.0 109.804 -174.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 37' ' ' SER . 19.7 m -172.68 136.29 0.72 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.016 1.327 . . . . 0.0 109.777 176.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -80.34 115.17 19.74 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 168.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.37 135.72 37.84 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 123.154 0.581 . . . . 0.0 109.995 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 14.1 t -57.09 106.68 0.72 Allowed Pre-proline 0 N--CA 1.485 1.28 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 169.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.3 Cg_exo -36.01 -42.25 0.57 Allowed 'Trans proline' 0 C--N 1.382 2.311 1 C-N-CA 125.345 4.03 . . . . 0.0 116.633 -161.004 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.607 HG11 ' HG3' ' A' ' 55' ' ' GLN . 15.9 t -85.68 -31.2 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.443 0 C-N-CA 123.193 0.597 . . . . 0.0 112.129 -171.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.648 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.3 p -121.52 134.2 55.04 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.859 -0.526 . . . . 0.0 110.996 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.36 110.07 3.02 Favored Glycine 0 C--N 1.349 1.277 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 171.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -168.14 111.06 0.6 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 -170.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.494 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 39.2 m -83.47 133.56 34.89 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.918 0.887 . . . . 0.0 112.519 -167.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -136.48 143.77 43.99 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.076 1.35 . . . . 0.0 108.216 174.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.88 -48.23 13.82 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.174 0.512 . . . . 0.0 109.658 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 m -81.83 136.55 35.38 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 124.135 0.974 . . . . 0.0 110.512 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -75.72 -22.92 56.12 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 123.201 0.6 . . . . 0.0 110.883 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.98 -33.8 85.0 Favored Glycine 0 C--N 1.35 1.307 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.19 -27.22 59.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.55 0.74 . . . . 0.0 110.66 176.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.04 -52.78 63.52 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.338 0.655 . . . . 0.0 110.586 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -15.78 59.03 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.724 -176.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.31 85.45 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 122.422 0.289 . . . . 0.0 110.545 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.592 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 19.6 t-80 -71.06 -22.61 62.1 Favored 'General case' 0 C--N 1.36 1.036 0 CA-C-N 117.537 0.153 . . . . 0.0 110.832 -177.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.56 ' HB3' HG21 ' A' ' 56' ' ' VAL . 93.7 mt -67.51 -66.26 0.58 Allowed 'General case' 0 C--O 1.213 -0.837 0 O-C-N 123.847 0.717 . . . . 0.0 109.676 175.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.1 -29.52 60.74 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.04 -67.96 0.68 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.606 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -113.53 -34.93 5.4 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -168.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.648 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -98.4 23.73 8.13 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.581 0.752 . . . . 0.0 111.721 -175.344 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.86 -9.47 59.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.458 1.103 . . . . 0.0 111.195 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.82 -24.88 64.43 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.571 0.748 . . . . 0.0 110.544 169.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.607 ' HG3' HG11 ' A' ' 33' ' ' VAL . 15.3 mm-40 -98.12 -45.81 6.09 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.762 0.825 . . . . 0.0 111.052 -177.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 48' ' ' LEU . 33.5 m -90.33 152.18 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.502 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 72' ' ' LEU . 97.7 m-85 -125.91 85.93 58.53 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 123.91 0.884 . . . . 0.0 110.681 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 72.3 Cg_endo -74.93 130.09 13.02 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 122.77 2.314 . . . . 0.0 112.335 176.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 7.1 t -68.89 101.66 1.41 Allowed 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 171.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -59.38 -20.46 54.96 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 125.1 1.36 . . . . 0.0 114.269 -160.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -77.37 -22.18 52.14 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.217 1.007 . . . . 0.0 110.788 -173.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.483 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 26.5 p -132.53 161.14 65.06 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.689 1.196 . . . . 0.0 109.724 176.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.6 21.06 0.58 Allowed 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.342 2.028 . . . . 0.0 114.417 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.2 101.28 9.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.921 0.888 . . . . 0.0 109.815 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 83.7 m -91.91 114.94 27.62 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.982 178.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -91.35 156.6 17.64 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -98.56 -7.41 28.28 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.322 0.649 . . . . 0.0 109.989 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.463 ' HB3' ' HD2' ' A' ' 70' ' ' PRO . 18.9 m -128.93 145.24 51.28 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 123.89 0.876 . . . . 0.0 110.973 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -66.04 -33.96 7.9 Favored Pre-proline 0 CA--C 1.566 1.575 0 CA-C-O 117.823 -1.084 . . . . 0.0 113.573 177.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 68' ' ' SER . 74.5 Cg_exo -55.78 -45.95 35.24 Favored 'Trans proline' 0 C--N 1.406 3.566 0 C-N-CA 121.964 1.776 . . . . 0.0 112.237 169.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.441 ' HA2' ' HD3' ' A' ' 74' ' ' ARG . . . -60.05 -38.99 95.12 Favored Glycine 0 C--N 1.358 1.76 0 O-C-N 124.186 0.929 . . . . 0.0 112.832 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 HD22 ' HB3' ' A' ' 57' ' ' PHE . 41.9 tp -54.35 -55.63 26.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.482 1.113 . . . . 0.0 110.377 171.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.2 m -61.25 -36.23 79.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.46 1.104 . . . . 0.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' ' HA2' ' A' ' 71' ' ' GLY . 64.7 mtp85 -59.64 -37.37 78.51 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.877 0.871 . . . . 0.0 111.646 -178.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.589 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -73.5 -46.3 48.76 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.217 0.323 . . . . 0.0 110.249 175.019 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 52.7 mt -61.47 -23.35 30.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 123.633 0.583 . . . . 0.0 111.343 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.59 -58.57 2.67 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.496 0.718 . . . . 0.0 110.967 176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -91.33 -63.2 1.29 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.611 0.596 . . . . 0.0 112.611 -167.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.1 m -96.7 -0.67 47.97 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -166.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.483 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.4 m170 -155.41 60.15 2.45 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.688 1.195 . . . . 0.0 110.174 178.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -74.29 -176.38 2.68 Favored 'Trans proline' 0 C--N 1.387 2.569 0 C-N-CA 123.211 2.608 . . . . 0.0 112.913 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 t 61.86 -137.96 0.5 Allowed 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 117.938 -1.03 . . . . 0.0 108.73 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 59.43 64.54 1.32 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.07 0.948 . . . . 0.0 110.327 178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -96.7 142.63 28.49 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 114.416 -1.266 . . . . 0.0 111.03 -166.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 . . . . . 0 C--O 1.252 1.186 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 175.672 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.6 mtm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 137.18 -149.62 20.34 Favored Glycine 0 C--N 1.348 1.247 0 O-C-N 123.533 0.52 . . . . 0.0 112.103 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -159.23 -50.72 0.06 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.492 0.717 . . . . 0.0 109.838 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -163.65 160.38 22.73 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.59 0.756 . . . . 0.0 111.88 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -141.92 140.59 32.84 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.612 1.165 . . . . 0.0 109.107 172.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -125.57 117.05 22.74 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.055 0.942 . . . . 0.0 109.358 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -162.43 77.72 0.48 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.832 0.825 . . . . 0.0 109.997 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -130.27 129.96 43.96 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.888 0.875 . . . . 0.0 109.268 173.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.7 m -148.92 145.69 27.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.282 1.033 . . . . 0.0 109.37 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -83.33 132.88 34.99 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.7 -25.57 19.03 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.005 0.522 . . . . 0.0 109.863 174.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.77 -164.36 41.07 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.614 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -160.1 126.33 4.23 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 123.826 0.85 . . . . 0.0 108.914 178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.99 126.67 23.83 Favored Glycine 0 C--N 1.346 1.13 0 O-C-N 123.785 0.678 . . . . 0.0 111.978 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -86.01 150.14 24.68 Favored 'General case' 0 C--O 1.244 0.809 0 C-N-CA 123.312 0.645 . . . . 0.0 111.24 -177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.23 138.72 21.62 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.815 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 -55.59 0.46 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.585 0.754 . . . . 0.0 110.357 -174.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.45 103.96 2.71 Favored Glycine 0 N--CA 1.47 0.903 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -173.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -107.53 171.72 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.176 0.59 . . . . 0.0 111.571 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 pp -144.09 168.61 19.61 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.988 1.315 . . . . 0.0 109.895 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.45 61.21 0.33 Allowed Glycine 0 C--N 1.343 0.925 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -68.28 -34.94 77.08 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.704 0.802 . . . . 0.0 109.661 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.8 t -67.62 101.26 0.99 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.794 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -157.77 179.42 9.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.991 0.916 . . . . 0.0 110.344 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.3 m 64.71 20.43 12.13 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 124.662 1.185 . . . . 0.0 112.482 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -130.0 134.64 47.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.694 0.797 . . . . 0.0 109.443 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -69.19 88.91 0.44 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.096 0.959 . . . . 0.0 109.211 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.652 ' HB2' ' HB2' ' A' ' 37' ' ' SER . 57.8 m -142.31 178.94 7.23 Favored 'General case' 0 C--O 1.246 0.905 0 C-N-CA 124.232 1.013 . . . . 0.0 109.186 -177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -72.08 111.69 7.52 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.0 mt -93.76 137.23 33.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.902 0.481 . . . . 0.0 110.144 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 43.3 t -75.48 99.93 0.35 Allowed Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 164.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.1 Cg_endo -48.19 -29.1 12.04 Favored 'Trans proline' 0 C--N 1.381 2.263 0 C-N-CA 123.978 3.118 . . . . 0.0 115.661 -165.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 t -83.98 -18.58 9.84 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.552 0 C-N-CA 123.552 0.741 . . . . 0.0 112.116 -172.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.659 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 30.8 p -141.14 132.22 26.26 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.5 0.72 . . . . 0.0 110.588 176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.98 109.85 2.82 Favored Glycine 0 C--N 1.356 1.646 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 177.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -175.75 101.43 0.07 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -159.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 28' ' ' CYS . 60.0 p -93.24 130.57 38.89 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.568 0.747 . . . . 0.0 111.544 -174.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -120.13 145.01 47.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.849 1.259 . . . . 0.0 110.009 -178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 -33.61 70.7 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.813 0.445 . . . . 0.0 111.4 178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -116.24 152.72 33.22 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.079 0.552 . . . . 0.0 111.176 -177.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -71.92 -21.99 61.54 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.769 0.828 . . . . 0.0 111.487 177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.71 -39.71 47.7 Favored Glycine 0 C--N 1.349 1.267 0 O-C-N 123.67 0.606 . . . . 0.0 112.379 175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.61 67.84 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.598 0.359 . . . . 0.0 110.445 174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -65.64 -59.66 3.71 Favored 'General case' 0 C--O 1.244 0.786 0 C-N-CA 123.716 0.807 . . . . 0.0 111.678 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -71.84 -19.45 61.97 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.977 -171.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -73.87 -29.43 62.09 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.189 0.305 . . . . 0.0 111.146 179.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.487 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.8 t-80 -68.9 -40.81 78.94 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 173.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.525 ' HB3' HG11 ' A' ' 56' ' ' VAL . 95.7 mt -64.66 -33.85 76.92 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.555 175.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -75.52 -40.47 56.96 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.574 0.75 . . . . 0.0 111.152 -175.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.7 mt -105.64 -68.58 0.86 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.543 0.737 . . . . 0.0 111.459 -168.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.44 -4.67 57.89 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.404 0.682 . . . . 0.0 112.419 -169.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.659 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 1.7 m170 -139.57 37.69 2.03 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.438 1.095 . . . . 0.0 109.269 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -23.51 65.97 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.186 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.14 -5.39 31.34 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.762 0.825 . . . . 0.0 112.994 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -117.41 8.12 12.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.786 0.834 . . . . 0.0 111.872 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 48' ' ' LEU . 33.2 m -129.01 158.52 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 CA-C-O 121.743 0.782 . . . . 0.0 111.66 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.587 ' HB3' HD22 ' A' ' 72' ' ' LEU . 81.9 m-85 -131.41 88.77 42.8 Favored Pre-proline 0 CA--C 1.557 1.229 0 C-N-CA 125.22 1.408 . . . . 0.0 108.734 178.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -75.37 139.91 23.88 Favored 'Trans proline' 0 C--N 1.375 1.932 0 C-N-CA 122.989 2.46 . . . . 0.0 112.632 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 34.8 t -68.41 104.59 1.93 Allowed 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.233 0.613 . . . . 0.0 109.389 177.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -38.58 -48.45 1.43 Allowed 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 126.784 2.034 . . . . 0.0 116.445 -161.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -73.65 -39.93 64.11 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -171.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' HB3' ' HE1' ' A' ' 80' ' ' HIS . 30.9 p -107.7 152.19 41.41 Favored Pre-proline 0 N--CA 1.479 0.977 0 C-N-CA 122.994 0.518 . . . . 0.0 111.115 -172.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.3 80.01 1.07 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 122.271 1.98 . . . . 0.0 110.698 169.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.53 93.19 2.54 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.45 1.1 . . . . 0.0 108.2 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.8 m -92.65 115.79 28.42 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.219 -174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.43 136.71 40.82 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.766 0.826 . . . . 0.0 109.081 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HA ' HG12 ' A' ' 56' ' ' VAL . 57.8 t80 -77.69 -10.8 59.72 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.589 0.356 . . . . 0.0 110.892 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.3 m -125.75 144.86 50.45 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.375 0.67 . . . . 0.0 110.712 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LEU . 11.3 t -67.21 -39.37 20.62 Favored Pre-proline 0 CA--C 1.564 1.486 0 C-N-CA 124.371 1.068 . . . . 0.0 112.208 177.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 24.8 Cg_endo -61.27 -26.8 82.46 Favored 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 121.642 1.561 . . . . 0.0 112.693 169.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.28 -38.46 62.84 Favored Glycine 0 C--N 1.355 1.584 0 O-C-N 123.78 0.675 . . . . 0.0 112.411 175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.587 HD22 ' HB3' ' A' ' 57' ' ' PHE . 25.2 tp -54.23 -49.32 69.74 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.14 0.976 . . . . 0.0 110.305 170.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 m -61.22 -26.93 68.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.855 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 70' ' ' PRO . 3.7 mmp_? -65.16 -50.67 65.08 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 122.733 0.413 . . . . 0.0 112.089 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.5 t-80 -76.71 -19.5 57.62 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 119.054 -0.498 . . . . 0.0 110.802 -176.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 mt -75.31 -66.61 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.75 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -54.18 -34.18 59.89 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.874 0.87 . . . . 0.0 112.807 -174.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -90.52 -60.07 2.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 122.847 0.459 . . . . 0.0 111.649 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -114.57 -7.97 12.76 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 -160.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.471 ' HE1' ' HB3' ' A' ' 62' ' ' CYS . 2.5 m80 -141.23 49.45 1.54 Allowed Pre-proline 0 N--CA 1.49 1.568 0 C-N-CA 123.537 0.735 . . . . 0.0 111.091 176.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.06 -36.34 0.12 Allowed 'Trans proline' 0 C--N 1.392 2.859 0 C-N-CA 122.24 1.96 . . . . 0.0 113.61 -172.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.8 p -75.64 81.25 2.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.826 0.85 . . . . 0.0 109.735 -177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -91.05 14.74 13.18 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.694 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.83 152.64 43.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.058 0.943 . . . . 0.0 110.502 171.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 . . . . . 0 C--O 1.251 1.17 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.743 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.18 42.92 49.2 Favored Glycine 0 C--N 1.349 1.266 0 O-C-N 123.587 0.554 . . . . 0.0 113.109 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.27 86.78 1.96 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-O 121.811 0.815 . . . . 0.0 111.275 -175.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -134.71 168.52 18.87 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.827 1.251 . . . . 0.0 108.649 173.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.515 ' HB2' ' HA3' ' A' ' 14' ' ' GLY . 27.3 p80 -77.11 -24.49 51.74 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.121 0.169 . . . . 0.0 111.099 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 65.64 159.39 0.12 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 125.982 1.713 . . . . 0.0 112.748 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -81.04 160.44 24.53 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.78 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 67.2 114.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 124.828 1.33 . . . . 0.0 110.325 -174.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 m -61.89 102.33 0.27 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.359 0.664 . . . . 0.0 110.949 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -67.32 -47.22 71.17 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.357 0.663 . . . . 0.0 109.48 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 73.2 mtm -132.04 -43.48 0.97 Allowed 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.74 -176.65 14.48 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.983 168.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -70.23 -34.17 72.54 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 117.211 0.505 . . . . 0.0 110.533 177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HB2' ' A' ' 5' ' ' HIS . . . 102.99 37.92 3.03 Favored Glycine 0 C--N 1.347 1.184 0 O-C-N 123.974 0.796 . . . . 0.0 111.785 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.7 -165.51 2.3 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.975 0.91 . . . . 0.0 109.625 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -174.95 92.68 0.09 OUTLIER Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.33 98.82 0.36 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 171.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.04 68.89 3.01 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 115.841 -0.618 . . . . 0.0 113.387 -172.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.9 m -108.16 160.75 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.07 0.948 . . . . 0.0 109.311 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 pp -92.0 176.94 6.32 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.867 0.365 . . . . 0.0 110.756 175.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.61 102.75 2.25 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.411 HD23 ' H ' ' A' ' 22' ' ' LEU . 2.5 pt? -66.94 -17.64 65.01 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.364 0.665 . . . . 0.0 111.398 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -66.87 -18.35 65.34 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.984 0.913 . . . . 0.0 111.369 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 72.05 -69.08 0.2 Allowed 'General case' 0 C--N 1.367 1.362 0 C-N-CA 125.98 1.712 . . . . 0.0 110.227 -177.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.0 p -124.84 111.7 15.81 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 124.206 1.002 . . . . 0.0 109.139 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.85 135.68 37.1 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.095 0.558 . . . . 0.0 109.928 176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -93.56 171.48 8.87 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.041 0.937 . . . . 0.0 109.547 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.3 m 72.12 172.65 0.31 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.231 1.413 . . . . 0.0 111.676 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -83.99 119.0 24.4 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.08 150.88 22.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 122.513 0.325 . . . . 0.0 110.732 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HA ' ' HG3' ' A' ' 44' ' ' GLN . 10.9 t -64.17 109.73 3.07 Favored Pre-proline 0 N--CA 1.481 1.088 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 165.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' HD2' HD21 ' A' ' 48' ' ' LEU . 63.6 Cg_exo -44.13 -22.08 0.47 Allowed 'Trans proline' 0 N--CA 1.512 2.602 0 C-N-CA 125.097 3.865 . . . . 0.0 117.488 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.5 t -93.06 -32.33 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.843 0.457 . . . . 0.0 111.31 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 29.8 p -131.25 131.44 43.91 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.054 0.541 . . . . 0.0 110.978 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.34 110.11 2.72 Favored Glycine 0 C--N 1.358 1.756 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 172.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -165.83 101.5 0.67 Allowed 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -163.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 p -75.26 116.71 16.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.87 0.868 . . . . 0.0 112.434 -166.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -123.41 133.76 54.05 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.158 0.983 . . . . 0.0 109.973 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.58 -40.85 80.35 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.758 0.823 . . . . 0.0 111.186 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 t -120.78 163.23 18.45 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.397 0.679 . . . . 0.0 110.984 -173.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -71.78 -38.29 70.33 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.527 1.131 . . . . 0.0 112.608 -170.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.52 -28.92 72.07 Favored Glycine 0 N--CA 1.475 1.298 0 O-C-N 123.293 0.37 . . . . 0.0 113.511 -176.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.588 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . . . -74.99 -33.14 61.82 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.437 0.695 . . . . 0.0 111.086 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' HG3' ' HA ' ' A' ' 31' ' ' CYS . 13.8 tt0 -63.87 -51.52 64.22 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.288 0.635 . . . . 0.0 110.508 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.3 -35.68 76.13 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.54 -1.209 . . . . 0.0 112.28 -173.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HE ' ' HA ' ' A' ' 43' ' ' ALA . 9.6 ptp180 -69.64 -39.7 76.95 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.59 -177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -66.54 -26.93 67.38 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 118.72 0.691 . . . . 0.0 110.451 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.521 HD21 ' HD2' ' A' ' 32' ' ' PRO . 95.9 mt -72.0 -67.28 0.55 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 123.791 0.682 . . . . 0.0 110.416 175.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 ppt_? -68.29 -19.67 64.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -168.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.02 -63.21 1.39 Allowed 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.764 0.425 . . . . 0.0 110.887 174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.6 mt -105.56 -52.36 2.84 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.387 0.675 . . . . 0.0 112.183 -169.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.591 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 9.5 m170 -91.13 38.48 0.96 Allowed 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.406 1.083 . . . . 0.0 111.484 -172.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.547 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -80.19 -4.17 51.97 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.202 1.401 . . . . 0.0 111.742 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -35.76 81.41 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.17 0.988 . . . . 0.0 111.335 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -104.14 -3.11 24.87 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.178 0.591 . . . . 0.0 112.324 -174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 53' ' ' ALA . 34.2 m -126.93 142.24 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.56 ' HB3' HD22 ' A' ' 72' ' ' LEU . 69.0 m-85 -133.1 87.16 40.22 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 124.649 1.18 . . . . 0.0 109.361 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 91.5 Cg_endo -78.4 128.58 8.91 Favored 'Trans proline' 0 C--N 1.371 1.756 0 C-N-CA 122.646 2.231 . . . . 0.0 113.13 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 2.1 t -64.34 102.52 0.54 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 171.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.85 -30.39 63.78 Favored 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.505 1.522 . . . . 0.0 114.987 -155.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -80.1 -7.21 58.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.156 0.582 . . . . 0.0 111.574 -172.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 64' ' ' ALA . 28.7 p -135.89 154.33 77.71 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 124.305 1.042 . . . . 0.0 110.778 171.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.28 77.06 2.53 Favored 'Trans proline' 0 CA--C 1.56 1.809 0 C-N-CA 122.072 1.848 . . . . 0.0 111.117 163.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' HB3' ' SG ' ' A' ' 62' ' ' CYS . . . -141.43 102.66 4.25 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.335 1.054 . . . . 0.0 108.325 177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 31.8 m -96.89 132.0 43.09 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.888 0.875 . . . . 0.0 110.972 -172.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.15 130.44 52.77 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.878 0.871 . . . . 0.0 110.073 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -83.4 20.03 1.42 Allowed 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.541 0.736 . . . . 0.0 111.183 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 70' ' ' PRO . 52.2 p -151.61 143.6 23.86 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.118 0.967 . . . . 0.0 109.017 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 37.1 p -66.74 -31.88 4.53 Favored Pre-proline 0 CA--C 1.569 1.689 0 CA-C-O 117.817 -1.087 . . . . 0.0 113.213 177.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 68' ' ' SER . 88.9 Cg_exo -52.44 -49.16 18.4 Favored 'Trans proline' 0 C--N 1.407 3.616 0 C-N-CA 122.163 1.908 . . . . 0.0 112.775 167.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.35 97.9 Favored Glycine 0 C--N 1.353 1.522 0 O-C-N 123.394 0.434 . . . . 0.0 112.737 179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 57' ' ' PHE . 37.5 tp -54.29 -57.93 9.33 Favored 'General case' 0 C--O 1.245 0.831 0 C-N-CA 124.588 1.155 . . . . 0.0 110.95 175.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 t -73.1 -25.81 61.02 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.474 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.68 -38.0 80.01 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.846 0.293 . . . . 0.0 111.186 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 2.4 t-80 -75.48 -17.86 60.01 Favored 'General case' 0 N--CA 1.482 1.165 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.662 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 71.0 mt -80.7 -65.97 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 171.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -51.92 -36.35 48.72 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 124.452 1.101 . . . . 0.0 113.199 -176.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -92.67 -59.75 1.99 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.057 0.543 . . . . 0.0 111.561 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 58.6 m -101.42 -18.71 15.89 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -162.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 62' ' ' CYS . 14.4 m80 -140.55 52.25 3.16 Favored Pre-proline 0 N--CA 1.495 1.816 0 C-N-CA 123.54 0.736 . . . . 0.0 112.291 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 36.4 Cg_endo -100.15 1.22 0.8 Allowed 'Trans proline' 0 C--N 1.392 2.835 0 C-N-CA 123.316 2.677 . . . . 0.0 113.979 -177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.473 ' HA ' ' HD3' ' A' ' 85' ' ' ARG . 19.9 m -88.63 32.96 0.77 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.587 0.755 . . . . 0.0 110.466 -175.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -121.26 154.83 35.83 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.697 1.599 . . . . 0.0 109.027 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 65.28 24.8 12.2 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.34 1.056 . . . . 0.0 111.492 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.473 ' HD3' ' HA ' ' A' ' 82' ' ' SER . 13.6 ptm180 . . . . . 0 CA--C 1.559 1.318 0 C-N-CA 124.153 0.981 . . . . 0.0 109.559 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.98 18.45 72.33 Favored Glycine 0 C--N 1.348 1.215 0 O-C-N 123.68 0.613 . . . . 0.0 112.866 -178.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -126.87 105.15 8.44 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.363 0.665 . . . . 0.0 110.556 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -144.9 50.72 1.25 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.073 1.349 . . . . 0.0 108.037 172.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.9 p-80 -72.39 95.31 1.73 Allowed 'General case' 0 CA--C 1.551 1.007 0 CA-C-O 122.011 0.91 . . . . 0.0 110.752 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -128.55 63.27 1.45 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -80.89 147.99 30.1 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 114.55 -1.205 . . . . 0.0 110.648 -173.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -74.54 87.25 2.11 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.12 0.568 . . . . 0.0 110.462 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m 63.61 178.19 0.16 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.14 1.376 . . . . 0.0 113.081 176.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -142.39 85.51 1.91 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 173.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.3 mmt -120.86 19.46 11.75 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.903 0.881 . . . . 0.0 110.856 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 118.41 91.55 1.45 Allowed Glycine 0 C--N 1.346 1.088 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -157.69 -44.07 0.06 Allowed 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.567 0.747 . . . . 0.0 110.491 -173.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 131.58 7.26 3.12 Favored Glycine 0 C--N 1.356 1.687 0 CA-C-O 119.258 -0.746 . . . . 0.0 113.963 174.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.68 123.36 19.88 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.29 -25.19 21.64 Favored Glycine 0 N--CA 1.473 1.137 0 CA-C-N 116.461 -0.336 . . . . 0.0 112.929 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.54 -171.78 3.71 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.108 0.963 . . . . 0.0 110.104 178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.76 -136.28 8.21 Favored Glycine 0 C--N 1.346 1.12 0 C-N-CA 123.196 0.427 . . . . 0.0 112.185 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.0 m -94.78 166.43 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 124.195 0.998 . . . . 0.0 110.286 177.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 pp -134.41 172.42 12.93 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.731 0.813 . . . . 0.0 111.25 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -161.48 -178.36 35.35 Favored Glycine 0 C--N 1.342 0.89 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.566 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -75.87 85.2 2.82 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.7 t -153.37 108.44 3.19 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.267 0.627 . . . . 0.0 110.066 -175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -156.35 88.61 1.08 Allowed 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 172.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 p -70.98 -67.56 0.5 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.244 0.618 . . . . 0.0 110.668 -175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.0 -63.03 1.51 Allowed 'General case' 0 C--O 1.239 0.548 0 C-N-CA 123.994 0.918 . . . . 0.0 108.89 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.579 ' HG2' HD21 ' A' ' 30' ' ' LEU . 1.1 tm-20 58.29 91.85 0.04 OUTLIER 'General case' 0 C--N 1.361 1.076 0 C-N-CA 125.034 1.334 . . . . 0.0 109.797 179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.2 m -132.24 -46.01 0.92 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.356 0.663 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 38' ' ' PHE . 35.6 m80 -139.25 117.0 11.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.567 1.147 . . . . 0.0 108.273 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.579 HD21 ' HG2' ' A' ' 27' ' ' GLU . 38.7 mt -106.85 139.43 41.28 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.251 0.62 . . . . 0.0 110.207 -176.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 40.7 t -63.27 105.48 0.67 Allowed Pre-proline 0 N--CA 1.48 1.058 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 169.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' HD2' HD21 ' A' ' 48' ' ' LEU . 92.5 Cg_exo -48.04 -29.86 12.99 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 124.229 3.286 . . . . 0.0 116.067 -169.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' A' ' 55' ' ' GLN . 10.3 t -86.24 -17.15 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.482 0 C-N-CA 122.926 0.491 . . . . 0.0 112.311 -172.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.613 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 22.6 p -145.52 135.77 23.93 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.814 -0.554 . . . . 0.0 111.083 179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.97 110.92 3.77 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 110.448 -1.061 . . . . 0.0 110.448 173.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -162.65 108.61 1.2 Allowed 'General case' 0 C--O 1.242 0.683 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 -171.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -74.73 114.02 12.68 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.976 0.51 . . . . 0.0 111.108 -174.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' HB2' ' O ' ' A' ' 29' ' ' HIS . 69.5 m-85 -115.08 142.37 46.74 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -81.96 -36.23 28.18 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.631 0.772 . . . . 0.0 109.8 172.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.6 t -97.91 150.65 21.09 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.619 0.768 . . . . 0.0 111.535 -176.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -72.73 -34.04 66.81 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.185 170.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.66 -40.11 97.53 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.3 71.37 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.872 0.869 . . . . 0.0 111.134 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.69 -50.61 71.76 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.879 0.872 . . . . 0.0 111.161 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -70.44 -35.61 73.47 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.973 -172.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -69.29 -24.77 64.0 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 123.309 0.38 . . . . 0.0 111.608 -176.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.506 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 2.1 t-80 -69.95 -41.15 74.93 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 173.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' HB3' HG11 ' A' ' 56' ' ' VAL . 91.3 mt -69.81 -31.1 68.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.046 0.939 . . . . 0.0 111.559 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -82.51 -37.79 24.74 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 110.605 -174.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -100.97 -72.15 0.69 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.116 0.567 . . . . 0.0 110.367 -176.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.0 mt -87.44 -12.42 46.19 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -163.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.613 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -134.09 32.06 3.49 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.364 1.066 . . . . 0.0 109.846 -176.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -75.02 -26.4 59.48 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.233 1.013 . . . . 0.0 112.559 -176.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.15 72.95 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.09 0.556 . . . . 0.0 111.0 176.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' A' ' 33' ' ' VAL . 14.4 mm100 -82.15 -26.98 32.98 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.72 -175.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 48' ' ' LEU . 20.2 m -93.61 153.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.492 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -133.07 84.14 49.46 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.424 1.09 . . . . 0.0 110.026 -175.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 61.4 Cg_endo -75.81 123.07 7.18 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.51 2.14 . . . . 0.0 111.598 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 12.8 t -58.78 102.99 0.13 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.211 1.005 . . . . 0.0 110.225 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -17.05 -64.11 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 C-N-CA 127.808 2.443 . . . . 0.0 116.311 -164.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.491 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 3.7 m-85 -83.03 -17.54 42.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.94 -161.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -130.65 144.68 54.39 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 123.262 0.625 . . . . 0.0 110.05 -172.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.85 82.6 1.22 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.429 2.086 . . . . 0.0 111.714 173.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.98 99.2 3.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.489 1.116 . . . . 0.0 108.22 178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 64.1 m -92.77 137.12 32.64 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.462 0.705 . . . . 0.0 111.126 -173.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -124.39 144.0 50.29 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.394 1.477 . . . . 0.0 108.814 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -96.15 10.03 39.0 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.885 0.474 . . . . 0.0 111.268 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.3 m -131.18 140.65 49.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.587 0.755 . . . . 0.0 109.91 178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m -65.46 -41.64 51.72 Favored Pre-proline 0 CA--C 1.567 1.607 0 C-N-CA 124.237 1.015 . . . . 0.0 112.719 -177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 28.0 Cg_exo -64.53 -42.51 16.24 Favored 'Trans proline' 0 C--N 1.401 3.312 0 C-N-CA 121.855 1.704 . . . . 0.0 111.389 171.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.21 -34.24 53.13 Favored Glycine 0 C--N 1.363 2.055 0 O-C-N 124.39 1.056 . . . . 0.0 113.43 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.9 tp -52.39 -53.0 50.63 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 124.772 1.229 . . . . 0.0 111.521 173.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.7 m -79.28 -24.13 43.14 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.302 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 92.6 mtt-85 -57.61 -30.1 65.05 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.949 0.499 . . . . 0.0 111.407 -178.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.484 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 8.1 t-80 -67.68 -44.47 77.71 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.714 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 45.5 mt -67.15 -24.16 31.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.232 1.013 . . . . 0.0 110.941 -177.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -84.45 -43.03 15.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.331 0.653 . . . . 0.0 110.619 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' HG2' ' SG ' ' A' ' 79' ' ' CYS . 87.7 tttt -93.07 -63.55 1.2 Allowed 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -167.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.502 ' SG ' ' HG2' ' A' ' 78' ' ' LYS . 77.0 m -119.81 24.31 10.63 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 123.823 0.849 . . . . 0.0 111.702 -169.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.714 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 2.0 t-160 -153.6 41.59 0.19 Allowed Pre-proline 0 CA--C 1.563 1.476 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 80' ' ' HIS . 24.7 Cg_endo -86.43 -5.98 8.16 Favored 'Trans proline' 0 C--N 1.39 2.759 0 C-N-CA 122.716 2.277 . . . . 0.0 115.176 -160.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.9 p -65.51 -77.18 0.07 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.612 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 32.03 -82.24 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 126.9 2.08 . . . . 0.0 115.117 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 60.64 68.65 0.74 Allowed 'General case' 0 C--N 1.36 1.045 0 C-N-CA 125.246 1.418 . . . . 0.0 109.281 -172.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.174 -177.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.36 128.41 2.74 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -126.89 102.75 7.15 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -102.0 178.91 4.48 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.693 0.797 . . . . 0.0 110.874 -177.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -148.95 164.58 34.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.803 1.241 . . . . 0.0 109.496 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -154.65 159.69 40.95 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 173.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -97.86 119.28 36.18 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.018 0.372 . . . . 0.0 111.116 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -135.28 155.26 50.92 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.506 1.522 . . . . 0.0 108.298 167.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -163.02 146.18 10.72 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 123.583 0.753 . . . . 0.0 110.01 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.7 m80 -92.24 149.77 21.27 Favored 'General case' 0 C--O 1.243 0.742 0 C-N-CA 123.349 0.66 . . . . 0.0 110.517 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -157.2 168.12 28.36 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.858 0.863 . . . . 0.0 110.197 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.41 -171.78 44.86 Favored Glycine 0 C--N 1.34 0.786 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.715 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -132.67 134.59 45.02 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.57 149.56 20.65 Favored Glycine 0 C--N 1.345 1.029 0 O-C-N 123.723 0.64 . . . . 0.0 112.909 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -112.25 161.38 16.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.003 0.921 . . . . 0.0 109.747 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.2 90.05 0.09 OUTLIER Glycine 0 C--N 1.337 0.608 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 130.73 13.4 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.752 0.821 . . . . 0.0 108.935 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.43 126.49 1.13 Allowed Glycine 0 C--N 1.341 0.828 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.4 m -86.96 -173.13 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 123.342 0.657 . . . . 0.0 111.564 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -121.53 166.64 13.88 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.053 0.941 . . . . 0.0 109.031 174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 153.19 46.1 0.02 OUTLIER Glycine 0 C--N 1.344 0.978 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.9 mt -99.96 141.35 32.9 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.249 0.62 . . . . 0.0 111.162 -176.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.9 m -142.57 169.18 18.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.633 1.173 . . . . 0.0 109.283 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 61.65 23.7 13.95 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.929 0.892 . . . . 0.0 111.775 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -83.34 -20.59 34.04 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 124.248 1.019 . . . . 0.0 111.847 -174.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 72.78 129.29 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.419 1.488 . . . . 0.0 113.443 173.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.07 121.55 28.84 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.577 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 39' ' ' ALA . 49.6 t -166.92 -43.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.386 0.612 . . . . 0.0 109.506 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -136.63 118.35 15.04 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.706 1.202 . . . . 0.0 108.511 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 37' ' ' SER . 50.0 mt -117.66 127.49 54.0 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.772 0.829 . . . . 0.0 109.47 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.83 108.66 1.97 Allowed Pre-proline 0 N--CA 1.484 1.227 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 48' ' ' LEU . 39.7 Cg_endo -61.61 -1.04 1.76 Allowed 'Trans proline' 0 N--CA 1.508 2.335 0 C-N-CA 123.594 2.863 . . . . 0.0 116.071 -165.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 t -108.92 -16.13 8.99 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.334 0 C-N-CA 123.479 0.712 . . . . 0.0 111.537 -177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.581 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 17.5 p -154.77 163.67 39.92 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.007 0.523 . . . . 0.0 111.368 -176.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.03 107.97 2.35 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -149.0 81.43 1.43 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.935 1.294 . . . . 0.0 108.371 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.422 ' HA ' HD23 ' A' ' 30' ' ' LEU . 13.3 p -80.44 116.54 20.55 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.172 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -136.49 143.12 43.63 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.797 0.839 . . . . 0.0 109.804 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . . . -74.97 -31.87 61.56 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.345 0.658 . . . . 0.0 110.092 171.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 m -90.13 145.14 25.27 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.899 0.879 . . . . 0.0 111.893 -177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -72.1 -48.59 42.76 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.547 0.739 . . . . 0.0 110.859 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.15 -35.77 92.0 Favored Glycine 0 C--N 1.347 1.188 0 O-C-N 123.656 0.598 . . . . 0.0 112.997 -176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.99 -17.67 63.96 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.808 0.843 . . . . 0.0 111.84 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.89 -55.1 4.25 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.627 0.771 . . . . 0.0 109.061 172.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.64 -28.17 68.35 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.267 1.027 . . . . 0.0 112.608 -171.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' HA ' ' HG2' ' A' ' 49' ' ' ARG . 5.2 ptp180 -60.3 -39.5 87.17 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 123.309 0.381 . . . . 0.0 111.045 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.95 -32.78 74.66 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 117.803 0.274 . . . . 0.0 110.268 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.507 HD21 ' HD2' ' A' ' 32' ' ' PRO . 67.9 mt -71.97 -42.97 65.89 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 123.971 0.795 . . . . 0.0 112.023 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -79.34 -25.65 42.26 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 118.374 0.534 . . . . 0.0 111.78 -176.288 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.7 mt -91.73 -75.46 0.48 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.705 0.402 . . . . 0.0 111.235 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 62.2 mt -96.62 -24.77 15.85 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -166.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.581 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 3.3 m170 -114.98 38.88 3.03 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.762 0.825 . . . . 0.0 110.457 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HA ' HG22 ' A' ' 56' ' ' VAL . . . -82.47 -2.99 55.0 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.385 -1.28 . . . . 0.0 113.124 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.61 -27.34 51.21 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.101 0.561 . . . . 0.0 111.001 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.0 -32.88 15.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.721 0.808 . . . . 0.0 111.679 -175.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 65' ' ' THR . 35.8 m -92.61 158.61 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 171.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.57 ' HB3' HD22 ' A' ' 72' ' ' LEU . 92.6 m-85 -131.99 89.92 36.98 Favored Pre-proline 0 CA--C 1.547 0.841 0 C-N-CA 124.118 0.967 . . . . 0.0 109.266 -173.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.13 121.52 8.34 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.992 2.462 . . . . 0.0 112.886 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.2 t -60.14 120.51 9.88 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.69 0.796 . . . . 0.0 109.165 174.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -63.48 -17.6 62.9 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -160.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -102.69 -24.67 13.73 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 26.4 p -132.93 135.04 25.24 Favored Pre-proline 0 N--CA 1.495 1.795 0 CA-C-O 118.526 -0.749 . . . . 0.0 111.1 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -60.85 93.76 0.1 Allowed 'Trans proline' 0 C--N 1.385 2.488 0 C-N-CA 123.003 2.469 . . . . 0.0 111.5 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -159.05 105.15 1.74 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.686 -1.143 . . . . 0.0 109.521 -172.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.441 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 17.1 p -93.07 125.18 37.54 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 122.828 0.451 . . . . 0.0 111.319 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -110.39 125.42 53.2 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.51 1.124 . . . . 0.0 108.612 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -74.43 -1.26 20.34 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 122.625 0.37 . . . . 0.0 111.499 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.5 m -130.8 136.1 48.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.972 0.909 . . . . 0.0 109.719 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.8 p -67.59 -30.87 3.15 Favored Pre-proline 0 CA--C 1.565 1.545 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 51.4 Cg_exo -57.12 -37.88 97.03 Favored 'Trans proline' 0 C--N 1.402 3.367 0 CA-C-N 122.24 1.836 . . . . 0.0 112.088 170.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -70.34 -37.03 70.45 Favored Glycine 0 C--N 1.357 1.699 0 O-C-N 123.8 0.687 . . . . 0.0 113.071 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' A' ' 57' ' ' PHE . 23.1 tp -52.04 -56.81 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.183 0.993 . . . . 0.0 110.635 171.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.3 m -68.42 -35.23 77.34 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.029 -177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' PRO . 1.4 ttm180 -62.58 -30.18 71.14 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 123.919 0.888 . . . . 0.0 111.71 -176.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' HE2' ' HG ' ' A' ' 79' ' ' CYS . 1.6 t-80 -65.84 -52.48 50.1 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 174.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 mt -65.55 -22.85 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.255 1.022 . . . . 0.0 111.429 -174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -84.53 -56.82 3.42 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.577 0.751 . . . . 0.0 111.506 175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -94.02 -61.85 1.46 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.469 0.708 . . . . 0.0 111.478 -171.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.42 ' HG ' ' HE2' ' A' ' 75' ' ' HIS . 49.8 t -95.46 11.29 33.43 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.928 0.891 . . . . 0.0 112.445 -164.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.56 53.03 0.39 Allowed Pre-proline 0 CA--C 1.556 1.192 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -78.34 -1.82 11.94 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 123.468 2.779 . . . . 0.0 116.497 -153.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 51.0 m -142.11 -76.57 0.27 Allowed 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 118.825 0.739 . . . . 0.0 111.024 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 58.18 36.94 26.2 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 124.333 1.053 . . . . 0.0 111.284 -172.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -104.39 9.74 35.63 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.897 0.879 . . . . 0.0 111.143 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 . . . . . 0 CA--C 1.553 1.079 0 C-N-CA 123.423 0.689 . . . . 0.0 109.476 -177.067 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 ttm . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.455 0.169 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.17 86.56 0.58 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.279 -174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -102.69 111.06 23.21 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.015 0.926 . . . . 0.0 109.881 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -117.49 -20.06 9.21 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 123.707 0.803 . . . . 0.0 110.221 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -131.27 98.33 4.52 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.95 0.9 . . . . 0.0 109.225 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.4 t60 -155.98 92.5 1.36 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m170 65.11 113.17 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.714 1.206 . . . . 0.0 111.081 -169.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -57.43 107.56 0.45 Allowed 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.809 0.844 . . . . 0.0 109.229 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m 62.28 97.55 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.706 1.202 . . . . 0.0 110.073 -172.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -53.96 98.08 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.269 1.028 . . . . 0.0 111.959 -175.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.8 mtp -138.12 -44.56 0.51 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.393 1.077 . . . . 0.0 109.546 173.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 15' ' ' GLU . . . 69.29 47.79 49.8 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.425 -175.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -66.82 96.28 0.4 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.351 0.66 . . . . 0.0 109.789 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 144.98 -27.04 1.89 Allowed Glycine 0 CA--C 1.529 0.969 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.826 178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 12' ' ' GLY . 12.4 pt-20 -85.11 172.07 11.53 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 117.54 0.67 . . . . 0.0 111.799 -176.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.82 -39.98 0.3 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.514 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.82 85.95 1.25 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.576 0.75 . . . . 0.0 110.467 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.6 -51.4 0.17 Allowed Glycine 0 C--N 1.335 0.505 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -89.24 158.08 2.99 Favored 'Isoleucine or valine' 0 C--O 1.245 0.818 0 C-N-CA 123.982 0.913 . . . . 0.0 109.129 167.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 pp -66.32 147.5 53.23 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 122.715 0.406 . . . . 0.0 111.66 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.04 146.44 10.26 Favored Glycine 0 C--N 1.339 0.744 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.72 -46.1 89.67 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.202 0.601 . . . . 0.0 110.658 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -163.54 160.4 23.07 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.881 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.94 -31.76 4.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.956 0.902 . . . . 0.0 110.733 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.6 t -108.38 -5.69 16.57 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.015 0.926 . . . . 0.0 111.34 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.35 -172.68 0.14 Allowed 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.343 1.057 . . . . 0.0 111.415 -172.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -44.95 13.0 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.935 0.494 . . . . 0.0 109.875 172.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 63.6 m 53.18 -81.41 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 126.021 1.728 . . . . 0.0 112.627 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -147.0 129.6 16.0 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 173.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.8 mt -89.16 146.68 24.63 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.175 0.59 . . . . 0.0 109.882 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 47' ' ' HIS . 12.6 t -66.42 96.18 0.08 OUTLIER Pre-proline 0 N--CA 1.487 1.409 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.981 172.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.439 ' HD2' HD11 ' A' ' 48' ' ' LEU . 10.0 Cg_exo -23.95 -56.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.384 2.404 1 C-N-CA 125.985 4.456 . . . . 0.0 117.176 -157.17 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 55' ' ' GLN . 35.8 t -79.15 -25.52 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.472 0 C-N-CA 122.953 0.501 . . . . 0.0 112.194 -169.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB3' ' HE1' ' A' ' 52' ' ' HIS . 20.5 p -120.17 123.28 42.9 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.765 -0.584 . . . . 0.0 109.471 169.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.53 109.95 2.47 Favored Glycine 0 C--N 1.351 1.399 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -162.2 102.71 1.11 Allowed 'General case' 0 C--O 1.241 0.644 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 120.1 14.58 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.232 0.957 . . . . 0.0 112.364 -169.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -127.57 131.51 49.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.048 0.939 . . . . 0.0 109.62 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.98 -20.21 62.45 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.932 0.893 . . . . 0.0 112.174 -177.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -141.44 153.56 45.07 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.44 0.696 . . . . 0.0 110.162 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -68.45 -19.75 64.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 123.597 0.759 . . . . 0.0 110.885 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.23 87.19 Favored Glycine 0 C--N 1.349 1.3 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 173.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.75 60.1 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.638 0.775 . . . . 0.0 111.494 178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.46 -57.86 9.68 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 123.693 0.797 . . . . 0.0 110.228 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -61.74 -26.23 67.93 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 124.468 1.107 . . . . 0.0 111.308 179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -64.86 -44.51 89.49 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 123.968 0.792 . . . . 0.0 111.259 178.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 11.4 t-80 -71.34 -36.08 71.41 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 118.436 0.562 . . . . 0.0 109.901 176.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' HB3' HG11 ' A' ' 56' ' ' VAL . 93.5 mt -65.81 -32.35 73.84 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.061 0.851 . . . . 0.0 112.288 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -84.41 -32.02 24.35 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 122.021 -0.424 . . . . 0.0 111.583 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.39 -78.2 0.34 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 122.532 0.333 . . . . 0.0 111.281 -176.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.2 mt -102.3 17.54 23.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.173 0.589 . . . . 0.0 111.695 -169.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.487 ' HE1' ' HB3' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -147.97 27.0 0.98 Allowed 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.807 0.443 . . . . 0.0 111.296 178.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.88 60.72 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.989 0.916 . . . . 0.0 112.012 -177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.66 -14.39 62.45 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.553 0.741 . . . . 0.0 111.76 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.444 ' HB3' HG21 ' A' ' 33' ' ' VAL . 27.0 mm-40 -107.44 -12.71 15.25 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.807 0.843 . . . . 0.0 112.862 -174.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG11 ' HB3' ' A' ' 48' ' ' LEU . 31.7 m -110.0 144.78 17.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-O 120.95 0.405 . . . . 0.0 110.524 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HB3' HD22 ' A' ' 72' ' ' LEU . 98.2 m-85 -133.37 83.47 49.7 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 125.005 1.322 . . . . 0.0 109.37 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' A' ' 65' ' ' THR . 74.2 Cg_endo -75.53 118.04 5.0 Favored 'Trans proline' 0 C--N 1.373 1.835 0 C-N-CA 122.578 2.185 . . . . 0.0 112.117 177.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 75' ' ' HIS . 47.2 t -70.55 103.45 2.5 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 171.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -50.77 -48.31 59.41 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 125.919 1.687 . . . . 0.0 115.474 -153.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.535 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 19.3 m-85 -82.39 -5.51 58.69 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 122.804 0.442 . . . . 0.0 111.699 -166.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 27.0 p -130.98 157.28 78.52 Favored Pre-proline 0 CA--C 1.552 1.02 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -80.18 42.17 1.27 Allowed 'Trans proline' 0 C--N 1.378 2.081 0 C-N-CA 122.578 2.185 . . . . 0.0 113.118 179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -108.22 92.08 3.91 Favored 'General case' 0 C--O 1.244 0.801 0 C-N-CA 124.24 1.016 . . . . 0.0 109.366 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 58' ' ' PRO . 48.9 m -93.2 113.42 25.64 Favored 'General case' 0 C--O 1.241 0.653 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -90.73 168.39 11.79 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.099 0.96 . . . . 0.0 109.343 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -116.03 -4.67 11.99 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.203 0.601 . . . . 0.0 109.706 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.7 m -129.57 136.39 49.74 Favored 'General case' 0 C--O 1.246 0.918 0 C-N-CA 123.849 0.86 . . . . 0.0 109.609 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.1 p -65.76 -30.47 3.91 Favored Pre-proline 0 CA--C 1.571 1.764 0 CA-C-O 117.373 -1.298 . . . . 0.0 113.958 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -51.33 -47.2 27.1 Favored 'Trans proline' 0 C--N 1.407 3.642 0 C-N-CA 122.141 1.894 . . . . 0.0 112.946 167.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.01 93.99 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.009 0.193 . . . . 0.0 112.762 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 57' ' ' PHE . 66.6 tp -57.55 -58.96 6.02 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.867 0.867 . . . . 0.0 110.795 176.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 t -66.91 -33.34 75.37 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.728 -175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -70.86 -24.35 62.5 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 119.302 -0.38 . . . . 0.0 111.465 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 1.9 t-80 -71.93 -56.85 4.96 Favored 'General case' 0 C--N 1.356 0.848 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 171.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.452 ' HA ' ' HB3' ' A' ' 80' ' ' HIS . 67.9 mt -50.78 -36.97 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 C-N-CA 124.846 1.259 . . . . 0.0 112.158 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -83.97 -57.74 3.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.233 0.613 . . . . 0.0 111.482 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -89.6 -59.8 2.11 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 122.965 0.506 . . . . 0.0 112.347 -166.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.1 t -96.43 10.23 38.86 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 122.921 0.488 . . . . 0.0 112.128 -173.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 61' ' ' TYR . 1.0 OUTLIER -145.36 45.95 0.54 Allowed Pre-proline 0 CA--C 1.561 1.4 0 C-N-CA 124.123 0.969 . . . . 0.0 108.626 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -72.99 168.29 25.12 Favored 'Trans proline' 0 C--N 1.385 2.482 0 C-N-CA 122.554 2.169 . . . . 0.0 112.77 -168.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.4 t 65.9 12.85 8.69 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.666 1.186 . . . . 0.0 111.53 -176.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.2 -51.77 16.55 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -87.1 100.82 12.93 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.792 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 . . . . . 0 CA--C 1.566 1.581 0 C-N-CA 123.817 0.847 . . . . 0.0 110.914 179.505 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_