data_2kjq_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 2kjq _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 ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 pttt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -158.84 -164.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.651 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.15 164.68 6.14 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 48.1 tt0 -68.12 -55.35 12.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.119 -0.541 . . . . 0.0 111.56 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' HD2' ' A' ' 110' ' ' PHE . 75.5 m-85 -116.03 103.05 10.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.1 mm -123.31 131.25 73.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.323 0.583 . . . . 0.0 111.527 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 42.3 t80 -118.33 123.25 44.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.379 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.8 m -120.95 153.44 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.468 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.3 p-90 . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' HA ' HD12 ' A' ' 53' ' ' LEU . 4.7 m . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.46 -33.94 71.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.009 -0.432 . . . . 0.0 110.707 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.26 -30.83 63.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.108 0.48 . . . . 0.0 109.736 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 50' ' ' SER . 9.5 mp -66.66 -44.89 80.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.81 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.43 -38.42 89.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.452 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.42 -48.76 78.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.503 0.668 . . . . 0.0 110.831 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 36.7 t90 -66.34 -38.77 88.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.787 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 69' ' ' TYR . 56.2 t -64.85 -44.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.562 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.49 87.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.807 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.448 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -64.85 -28.62 69.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.773 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.31 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.301 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.1 -36.41 77.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.219 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.32 -26.66 68.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.633 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.9 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 110.784 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.9 16.1 75.84 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.92 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -103.58 153.43 20.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 14.7 t-20 -81.26 133.88 35.51 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 -175.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -155.97 141.57 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.085 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 146.36 24.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 111.153 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.527 ' HB3' HG21 ' A' ' 57' ' ' VAL . 29.7 p90 -116.33 137.61 52.01 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.08 130.08 69.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 7.8 m-20 -79.53 105.19 10.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.86 3.18 2.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.893 0.377 . . . . 0.0 111.69 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.38 9.34 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 32.0 t -141.47 -29.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.332 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.5 mtm -132.1 144.26 52.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.329 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.32 160.52 15.09 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.414 2.076 . . . . 0.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 49.9 tp -91.24 144.85 25.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.804 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.2 p -131.54 164.89 24.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.471 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.03 -21.3 65.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.56 . . . . 0.0 110.406 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -24.06 64.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.359 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.15 -21.48 61.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.003 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 36.5 m-85 -69.14 -13.01 62.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.06 -28.98 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 110.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.554 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -83.9 138.67 33.06 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.986 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -91.9 -31.54 15.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.718 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.434 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.7 m-85 -109.31 113.17 25.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.014 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.694 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.8 mm? -114.45 136.05 53.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 111.21 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.44 125.34 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.053 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 53.7 t -124.86 114.87 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -107.27 150.7 26.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 66.57 32.4 7.26 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.457 0.473 . . . . 0.0 111.402 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.32 119.9 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.515 0.674 . . . . 0.0 110.318 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 9.0 pt-20 172.87 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.151 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.525 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 30.4 mmmt -88.77 14.5 10.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.936 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.75 133.61 56.26 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.34 -84.46 1.74 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.522 -0.846 . . . . 0.0 113.345 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -139.41 -72.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.295 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.55 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.662 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.16 -32.03 73.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.981 -178.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.527 ' HG3' HD21 ' A' ' 135' ' ' LEU . 25.9 tt0 -72.55 -42.25 64.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.162 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.46 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.236 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -61.06 -49.35 77.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.251 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -58.06 -45.0 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.016 177.332 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.56 -46.45 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.004 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.2 t -62.1 -37.44 85.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.331 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.455 HD12 HD22 ' A' ' 103' ' ' LEU . 75.0 mt -58.6 -46.43 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.246 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -56.54 -43.44 79.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.584 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 58.6 t30 -63.44 -47.43 81.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.459 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -33.5 72.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.446 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.694 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 10.7 m-30 -69.13 -56.05 8.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -66.74 -33.87 76.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.198 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -66.62 -50.79 61.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -74.55 -29.19 61.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.676 -175.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.54 25.13 33.85 Favored Glycine 0 CA--C 1.507 -0.421 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -131.14 -164.03 1.39 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.856 -1.172 . . . . 0.0 109.341 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.522 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 91.37 125.41 3.33 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.908 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 81.2 m-85 -119.28 131.65 55.79 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.2 tp -139.04 141.3 38.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.486 0.66 . . . . 0.0 111.149 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.8 tp -141.36 116.3 9.84 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.351 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.527 HD22 ' HE1' ' A' ' 139' ' ' MET . 3.2 mp -121.41 148.3 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.749 0.309 . . . . 0.0 110.814 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -142.59 135.96 6.88 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.204 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 80.7 p -156.22 -167.85 2.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.87 -5.3 21.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -121.88 -88.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.79 -171.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.541 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 178.38 154.25 0.52 Allowed Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 123.035 0.534 . . . . 0.0 110.191 -178.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.514 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 54.8 Cg_endo -70.43 -28.57 21.86 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.4 2.067 . . . . 0.0 113.227 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -100.41 4.29 43.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.973 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -115.67 -16.49 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 125' ' ' THR . 73.1 mt -70.7 152.05 44.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.276 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.82 92.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.108 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.21 171.49 12.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.154 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.628 ' HB3' ' OD1' ' A' ' 134' ' ' ASP . 9.5 tpt180 -78.68 156.31 29.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.493 ' OE2' ' HG3' ' A' ' 132' ' ' ARG . 1.3 pm0 -68.5 -23.12 64.52 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.628 ' OD1' ' HB3' ' A' ' 132' ' ' ARG . 15.7 p-10 -69.74 -38.54 76.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.948 0.404 . . . . 0.0 110.194 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.527 HD21 ' HG3' ' A' ' 100' ' ' GLN . 28.8 tp -79.2 -40.03 31.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.85 -36.82 77.64 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.536 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.1 p -67.32 -32.28 73.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.48 -27.26 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.527 ' HE1' HD22 ' A' ' 120' ' ' LEU . 94.2 mmm -64.54 -18.51 64.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.49 -15.95 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.453 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -79.41 -11.66 59.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 80.1 m -94.87 139.19 31.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.04 154.84 29.13 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.61 114.7 47.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.063 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.35 122.45 39.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.486 0.66 . . . . 0.0 111.771 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.205 172.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HD2' ' HB2' ' A' ' 56' ' ' TRP . 82.9 m-70 -137.15 177.29 7.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.86 -164.44 20.2 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.855 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.594 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 41.2 tt0 -78.73 -76.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.696 0.284 . . . . 0.0 110.89 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 74.4 m-85 -96.34 97.75 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.3 mm -123.81 118.96 55.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 46.3 t80 -110.5 113.81 26.74 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG11 ' HB2' ' A' ' 145' ' ' TYR . 22.5 m -108.4 132.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.321 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 121.531 0.681 . . . . 0.0 110.372 178.32 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -63.91 -45.78 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.929 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.37 -29.58 67.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.067 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 119' ' ' LEU . 9.9 mp -73.86 -47.38 38.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.715 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.44 -37.06 85.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.774 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 110.389 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.445 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 52.8 t90 -65.74 -43.35 89.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.557 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 69' ' ' TYR . 55.6 t -62.24 -47.83 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.356 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.13 79.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.201 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -61.76 -45.43 93.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.47 89.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.061 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.27 -48.95 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.212 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.49 -23.44 61.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.157 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.35 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.09 21.73 27.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.262 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.17 178.42 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB3' ' H ' ' A' ' 85' ' ' GLU . 16.4 t-20 -102.89 134.41 46.36 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HG11 ' A' ' 57' ' ' VAL . . . -153.71 135.28 14.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.984 0.421 . . . . 0.0 111.663 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.37 142.78 37.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HB3' HG22 ' A' ' 57' ' ' VAL . 32.7 p90 -116.65 132.14 56.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.789 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.8 mt -131.47 117.65 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.269 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.713 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 21.0 p-10 -104.42 109.51 21.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.3 56.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.662 -170.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.14 -3.95 50.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.453 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 42.4 t -133.33 -30.4 1.31 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 63.8 mtm -133.81 144.06 50.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.59 163.13 16.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.629 2.219 . . . . 0.0 112.046 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 tp -79.91 143.56 34.14 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.2 p -132.83 157.65 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.05 -12.37 60.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.13 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -25.87 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.777 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -61.53 -17.39 54.56 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.822 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -62.84 -24.2 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.07 -32.29 56.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.53 120.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.433 ' O ' ' HA2' ' A' ' 116' ' ' GLY . 11.8 pt-20 -73.29 -39.93 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.951 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 36.6 m-85 -86.36 109.98 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD22 ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -121.75 121.06 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.064 0.459 . . . . 0.0 110.624 -177.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.82 120.37 41.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.439 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.31 120.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.898 0.38 . . . . 0.0 110.813 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.713 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.9 t70 -93.02 127.13 38.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 62.75 65.5 0.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.428 0.632 . . . . 0.0 111.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 120' ' ' LEU . 24.7 t -65.44 -32.74 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.958 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.421 ' HG3' ' HZ2' ' A' ' 94' ' ' LYS . 11.0 pt-20 -67.92 -10.32 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.607 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HZ2' ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -88.36 -2.48 58.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.695 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 99' ' ' GLU . 89.3 mt -82.42 135.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.3 -110.62 2.04 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.894 -175.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -95.17 -67.44 0.85 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -170.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.33 -36.3 82.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.02 0.438 . . . . 0.0 110.809 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.441 ' HB3' HD23 ' A' ' 95' ' ' LEU . 2.4 mp0 -60.62 -41.11 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.594 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG3' HD23 ' A' ' 135' ' ' LEU . 7.4 tt0 -66.3 -41.63 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.79 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.21 -49.71 70.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.939 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 106' ' ' ILE . 51.2 tp -56.67 -38.24 71.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.225 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.91 -46.25 82.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.633 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -32.04 73.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.472 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 103' ' ' LEU . 70.0 mt -60.58 -49.76 83.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.429 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -59.47 -38.41 80.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.58 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.207 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -43.53 96.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 110.917 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.471 ' HD2' HD21 ' A' ' 118' ' ' LEU . 16.5 m-30 -64.15 -41.68 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.0 111.386 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.598 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -76.69 -45.2 30.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.032 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -76.97 -43.97 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.357 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.11 -28.88 6.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mtmt -89.33 -166.53 1.62 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.706 -0.747 . . . . 0.0 110.353 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 85' ' ' GLU . . . 104.3 119.49 4.62 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 119.89 -1.147 . . . . 0.0 112.613 -177.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 7.1 m-85 -123.01 118.62 28.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 110' ' ' PHE . 4.0 mm? -107.06 111.05 23.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -177.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 53' ' ' LEU . 54.0 tp -105.02 102.85 12.32 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 92' ' ' VAL . 70.5 mt -108.49 111.72 23.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.47 -175.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.78 116.5 4.87 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.541 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 179.04 6.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.58 -48.8 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.065 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.6 -178.76 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.031 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 12.3 p -91.3 154.12 44.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 Cg_exo -67.87 -32.49 29.06 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.938 2.426 . . . . 0.0 112.838 -170.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -86.13 1.15 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.752 0.31 . . . . 0.0 110.759 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.38 -6.56 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.605 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 125' ' ' THR . 97.3 mt -94.92 158.12 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.226 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.44 86.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.12 172.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.119 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 132' ' ' ARG . 51.6 mtt-85 -83.9 155.48 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.302 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -54.79 -39.15 68.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.384 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.32 -44.53 80.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.875 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 100' ' ' GLN . 35.8 tp -79.93 -41.84 25.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.645 -178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -61.61 -37.13 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.529 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.7 p -69.34 -35.93 76.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.803 0.335 . . . . 0.0 111.284 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -75.89 -19.66 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 111.565 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.5 mmt -69.45 -21.11 63.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.972 0.415 . . . . 0.0 110.759 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.91 64.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.532 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -74.15 -20.62 60.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 81.0 m -92.27 132.46 36.67 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.394 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.21 154.15 41.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.238 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.08 116.49 52.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.868 0.366 . . . . 0.0 110.567 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.492 ' HB2' HG11 ' A' ' 41' ' ' VAL . 35.3 m-85 -113.93 121.84 45.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.265 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.393 177.772 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -160.08 -174.49 4.58 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.853 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.18 -167.76 4.31 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.286 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.73 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.592 -0.357 . . . . 0.0 111.212 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -100.87 94.77 6.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.28 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 143' ' ' LEU . 45.2 mm -126.23 124.22 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.018 0.437 . . . . 0.0 110.9 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -113.38 125.07 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.028 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.535 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 27.8 m -122.3 157.57 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.9 0.381 . . . . 0.0 111.88 -179.582 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.589 ' HB3' HD12 ' A' ' 53' ' ' LEU . 8.9 m . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 121.818 0.818 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.38 -45.65 90.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.962 -171.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.0 tp -76.07 -30.73 58.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.749 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.72 ' HG ' ' HG ' ' A' ' 119' ' ' LEU . 8.5 mp -64.86 -55.96 16.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 111.918 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.43 -39.25 93.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.213 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.07 95.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.885 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 41.9 t90 -60.36 -41.23 93.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 69' ' ' TYR . 60.5 t -59.08 -49.02 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 62' ' ' GLU . . . -61.67 -37.1 82.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.206 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.28 -41.9 99.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.637 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -36.47 82.34 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 93.7 mt -60.84 -36.59 79.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.83 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 58' ' ' ALA . 49.6 mt-10 -59.98 -35.3 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.583 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.42 5.74 11.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.32 19.35 71.99 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.06 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 86' ' ' TYR . 67.3 mmtt -99.08 157.54 16.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -91.97 133.86 35.32 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.911 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.23 149.3 24.25 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.637 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.06 129.55 17.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.956 0.407 . . . . 0.0 111.45 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HB3' HG23 ' A' ' 57' ' ' VAL . 37.8 p90 -103.77 119.53 39.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.0 mt -106.94 114.85 47.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 49.1 t0 -85.94 107.96 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.041 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.0 -10.88 15.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.54 -3.52 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.4 t -134.69 -25.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.4 144.56 48.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.473 -176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.36 160.89 5.55 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.581 2.187 . . . . 0.0 111.835 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 99' ' ' GLU . 36.7 tp -79.27 142.56 36.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -145.27 -179.36 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 111.428 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.02 -17.7 63.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.136 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.02 57.35 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.42 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.97 67.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.689 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.2 m-85 -78.22 -13.64 59.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.286 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -89.02 -21.68 23.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.813 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.73 134.8 33.6 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.401 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 12.3 tp10 -69.25 -44.79 71.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.778 173.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.71 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 69.7 m-85 -107.89 123.48 48.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.644 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.5 127.28 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.278 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -133.8 134.72 43.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.68 174.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.563 ' HB ' HG23 ' A' ' 92' ' ' VAL . 48.2 t -120.19 118.52 57.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.498 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -80.54 127.12 32.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.346 174.71 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.498 ' NE2' ' HB3' ' A' ' 90' ' ' ASP . 2.4 mp0 66.85 54.37 0.8 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.532 0.52 . . . . 0.0 111.05 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.563 HG23 ' HB ' ' A' ' 89' ' ' VAL . 47.4 t -57.57 -32.26 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.424 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.669 ' HB2' ' HA ' ' A' ' 123' ' ' GLU . 22.0 tt0 -60.98 -18.55 58.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.942 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 25.3 mmmt -99.55 10.63 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -170.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.5 152.47 34.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.299 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.57 -151.96 23.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.92 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -73.1 -52.44 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.16 -34.82 77.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.5 ' HG3' ' HB3' ' A' ' 77' ' ' LEU . 17.9 mp0 -59.76 -41.61 91.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.266 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -61.61 -46.2 90.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.49 94.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -68.77 -45.65 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -54.62 -45.89 73.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.052 175.743 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.451 ' HE1' ' HE ' ' A' ' 138' ' ' ARG . 43.5 t80 -56.08 -47.71 77.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.703 174.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.479 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 70.7 m -59.99 -30.92 69.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.523 HD11 HD21 ' A' ' 103' ' ' LEU . 76.1 mt -67.09 -44.4 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.451 174.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.73 -42.07 92.31 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.116 0.484 . . . . 0.0 110.1 173.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 7.6 t30 -61.18 -38.52 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.228 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.82 -45.05 91.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.452 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -62.42 -43.83 97.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 110.612 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -72.13 -32.7 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.425 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.4 OUTLIER -69.78 -37.35 76.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.32 -178.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -100.23 -37.41 8.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.054 -174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.59 59.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -170.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.511 ' HZ1' ' CD ' ' A' ' 85' ' ' GLU . 61.9 tttm -131.05 173.38 11.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -176.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.54 160.64 33.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.141 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.71 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 64.0 m-85 -134.54 150.39 50.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 37.0 tp -127.54 158.3 37.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.709 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.72 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 33.2 tp -156.2 117.39 3.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.013 174.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.9 mt -108.39 149.72 28.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.197 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -166.74 162.95 36.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.277 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.443 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 21.1 t 63.89 79.5 0.26 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.3 0.571 . . . . 0.0 111.228 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.669 ' HA ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 pt-20 -169.51 171.28 7.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.881 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 125' ' ' THR . 0.1 OUTLIER -73.87 -70.63 0.37 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -173.18 151.12 2.02 Favored Pre-proline 0 N--CA 1.465 0.275 0 C-N-CA 123.198 0.599 . . . . 0.0 109.608 172.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.08 -25.01 44.27 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.614 2.209 . . . . 0.0 112.468 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -93.44 -15.82 25.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.597 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -103.87 -24.23 13.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.108 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 125' ' ' THR . 83.6 mt -68.73 140.94 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 110.69 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.67 79.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.19 0.519 . . . . 0.0 109.723 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.4 pt -112.06 -179.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.349 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.557 ' HE ' ' HB3' ' A' ' 134' ' ' ASP . 46.5 ttp180 -65.42 134.59 53.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -54.31 -34.46 61.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.91 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.557 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 2.4 t70 -64.0 -35.67 81.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.038 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 tp -81.43 -31.42 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -62.74 -37.03 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -74.47 -30.6 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.338 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 38.9 mmt180 -69.3 -27.1 65.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.218 0.533 . . . . 0.0 110.235 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.0 mmt -73.7 -18.38 61.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.946 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.06 70.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 138' ' ' ARG . 29.5 p90 -95.6 16.12 18.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.251 0.548 . . . . 0.0 111.197 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -103.57 123.96 47.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 172.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 39' ' ' ILE . 6.9 mp -67.54 154.28 41.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.13 116.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.517 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 m-85 -123.37 117.43 25.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.277 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -110.78 167.56 10.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.654 0.264 . . . . 0.0 111.574 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 39' ' ' ILE . . . 108.45 158.04 19.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.438 173.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 45.4 tt0 -114.82 -57.7 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.443 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 19.4 m-85 -108.04 96.84 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.029 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.458 HG13 ' HA3' ' A' ' 36' ' ' GLY . 47.0 mm -128.14 132.54 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 111.427 -174.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.662 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 54.8 t80 -111.23 128.7 56.01 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.036 172.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 145' ' ' TYR . 27.6 m -122.31 146.67 27.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.7 p-90 . . . . . 0 C--N 1.321 -0.632 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.503 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.233 0.197 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -63.75 -58.75 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.999 0.428 . . . . 0.0 110.651 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.99 -35.01 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.502 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 13.1 tp -58.11 -51.94 67.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.71 -45.11 62.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.518 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -59.4 -43.82 92.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 69' ' ' TYR . 68.1 t -69.04 -54.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.005 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.89 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.106 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -64.5 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.944 177.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -35.05 73.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.774 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.22 -50.1 75.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.447 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.54 -6.92 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 -7.33 59.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.98 27.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.203 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -111.41 172.3 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 52.0 t30 -104.27 133.29 49.44 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -153.74 150.39 28.47 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.4 149.29 20.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.789 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.507 ' HB3' HG21 ' A' ' 57' ' ' VAL . 48.2 p90 -125.38 142.77 51.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.845 0.355 . . . . 0.0 110.255 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.508 HG13 HD11 ' A' ' 77' ' ' LEU . 38.4 mm -122.48 113.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.324 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 1.003 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.2 m-20 -89.08 94.47 9.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.466 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -66.29 -14.38 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.77 -8.03 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.688 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 m -135.47 -25.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.376 . . . . 0.0 111.919 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 76.3 mtm -134.13 151.93 77.43 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -172.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -81.93 160.8 18.51 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.576 2.184 . . . . 0.0 112.134 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.508 HD11 HG13 ' A' ' 70' ' ' ILE . 36.4 tp -91.22 144.32 25.74 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 p -135.26 174.27 10.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 111.367 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.2 -13.05 59.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.586 -174.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.01 58.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.433 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -27.79 63.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.491 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -72.98 -14.28 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.6 -29.38 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -88.31 128.93 35.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.547 -175.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.75 -32.92 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.25 0.548 . . . . 0.0 110.08 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.424 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 12.5 m-85 -106.64 93.41 4.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.299 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 110.334 -174.182 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.502 ' HB1' ' CD1' ' A' ' 53' ' ' LEU . . . -116.27 132.56 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.329 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.497 HG22 HD23 ' A' ' 103' ' ' LEU . 48.3 t -120.94 129.27 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 1.003 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 12.9 t70 -106.56 135.12 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.484 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 2.1 mp0 49.86 76.4 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.09 -18.85 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.527 0.679 . . . . 0.0 110.005 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.765 ' HB2' HD21 ' A' ' 129' ' ' LEU . 6.1 tm-20 -74.07 -25.15 59.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.229 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.6 mmmt -83.81 1.08 44.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 84.0 mt -84.5 149.08 26.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.39 -93.45 1.04 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.727 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -118.57 -70.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.43 -34.31 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.068 -173.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.7 mp0 -58.02 -42.22 84.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.925 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.23 -30.37 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.97 79.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.126 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.1 tm? -63.57 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.257 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.497 HD23 HG22 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -54.95 -47.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.058 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -57.69 -45.29 85.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.84 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -58.08 -37.2 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.588 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 102' ' ' LEU . 75.3 mt -59.03 -50.4 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.347 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.12 -43.64 91.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -48.58 66.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.065 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.443 ' HB3' ' HZ ' ' A' ' 38' ' ' PHE . 2.3 m-85 -66.75 -35.12 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -70.59 -26.46 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.998 0.428 . . . . 0.0 110.305 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.95 -44.26 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.491 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -78.68 -43.17 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.634 0.254 . . . . 0.0 110.694 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.38 -31.61 7.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.348 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 67.7 tttt -97.03 172.55 7.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.446 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 117.89 137.91 5.88 Favored Glycine 0 C--N 1.313 -0.7 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.308 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 19.6 m-85 -109.28 131.54 54.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.78 0.324 . . . . 0.0 110.287 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.87 121.42 21.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.184 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.1 tp -115.21 105.68 13.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.398 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.464 HD21 ' HE3' ' A' ' 139' ' ' MET . 4.8 mp -100.76 118.32 36.62 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.056 0.455 . . . . 0.0 110.011 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ASP . . . -116.9 134.26 11.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.46 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 11.2 t -152.76 152.42 31.64 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -78.8 7.63 6.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.009 0.433 . . . . 0.0 110.889 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.483 ' HB2' HD22 ' A' ' 129' ' ' LEU . 52.5 m-85 -139.67 174.73 10.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.623 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 82.3 p -88.45 155.51 51.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.662 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 Cg_endo -69.0 -15.57 40.04 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.49 -5.23 57.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.453 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 125' ' ' THR . 19.1 pt20 -120.03 2.54 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.746 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 93' ' ' GLU . 81.7 mt -82.79 143.69 30.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.431 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.8 t -83.8 86.8 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.333 0.587 . . . . 0.0 109.686 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.619 ' HB ' HD21 ' A' ' 135' ' ' LEU . 17.8 pt -133.43 168.93 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.446 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -64.49 148.68 50.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.84 -54.59 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 10.4 t70 -66.56 -38.82 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 110.152 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.619 HD21 ' HB ' ' A' ' 131' ' ' ILE . 41.1 tp -56.74 -48.8 76.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.245 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.496 ' HB2' HG13 ' A' ' 131' ' ' ILE . 74.6 ttt180 -60.01 -27.93 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.774 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.3 m -76.32 -36.44 58.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.686 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 27.1 mmt180 -70.99 -18.89 62.59 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.709 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.464 ' HE3' HD21 ' A' ' 120' ' ' LEU . 92.4 mmm -64.16 -18.7 64.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.911 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.05 4.79 21.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -94.13 5.27 52.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 28.3 p -124.71 146.13 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.02 0.438 . . . . 0.0 109.976 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.424 ' HB2' HD11 ' A' ' 39' ' ' ILE . 6.1 mp -80.15 154.62 27.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.081 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 119.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.165 0.507 . . . . 0.0 110.887 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.416 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.0 m-30 -97.87 118.81 35.27 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.235 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.582 -176.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.5 pttt . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -148.89 -163.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.919 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.22 -164.04 4.66 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.484 -0.389 . . . . 0.0 113.5 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -84.33 -58.86 2.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.561 0.219 . . . . 0.0 111.553 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -100.05 92.12 5.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.034 0.445 . . . . 0.0 109.96 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.432 ' O ' HD12 ' A' ' 119' ' ' LEU . 49.3 mm -121.78 125.16 72.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.926 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.679 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 28.7 t80 -105.73 126.75 52.53 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.302 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.551 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 26.7 m -121.01 138.03 52.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.535 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 1.1 p . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -63.07 -33.97 76.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.559 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.53 -43.09 67.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 119' ' ' LEU . 8.3 mp -69.61 -37.15 76.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.681 -178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 77.8 t90 -63.62 -41.74 98.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.576 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 53' ' ' LEU . 75.1 t -63.86 -47.49 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.68 95.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.867 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -37.92 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.74 178.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.95 -39.96 61.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.01 -48.07 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.191 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.14 -14.04 62.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.202 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.44 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 17.17 39.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.238 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -117.88 174.45 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -102.61 134.55 45.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.1 0.476 . . . . 0.0 111.103 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 152.0 38.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.429 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -125.93 126.93 45.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.07 0.462 . . . . 0.0 111.497 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -99.97 113.64 26.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.536 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.5 139.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 111.189 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 7.7 m-20 -108.11 108.8 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.67 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.603 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -103.75 17.26 24.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 111.563 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 41.9 t -138.82 -38.33 0.51 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 109.768 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 65.5 mtm -129.96 142.95 47.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.503 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.73 154.58 34.59 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.281 1.987 . . . . 0.0 111.527 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 102' ' ' LEU . 26.6 tp -77.01 142.3 39.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.3 p -134.73 172.79 12.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.16 0.505 . . . . 0.0 111.479 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.14 -15.54 63.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.035 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.02 64.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.123 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.86 66.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.92 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -79.07 -13.9 59.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 111.079 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.44 -25.97 30.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.196 0.522 . . . . 0.0 111.205 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 145.63 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -85.01 -25.25 27.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.274 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.502 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 14.6 m-85 -129.86 128.75 42.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.228 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 HD23 ' HB1' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -120.31 125.27 47.64 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.9 0.381 . . . . 0.0 111.923 -172.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.42 124.85 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -130.31 119.7 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.29 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.535 ' CB ' ' HB3' ' A' ' 50' ' ' SER . 4.1 t0 -104.59 175.1 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.603 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 36.3 mt-30 56.64 34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.397 0.679 . . . . 0.0 110.931 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 61.9 t -63.31 -12.96 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.641 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 123' ' ' GLU . 7.1 tp10 -61.74 -20.07 63.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.212 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 1.5 mppt? -112.33 30.35 7.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 39.8 mt -61.22 134.49 57.05 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.799 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.69 -102.45 2.42 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.877 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.11 -63.71 1.09 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.642 -0.328 . . . . 0.0 111.617 -174.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.55 -37.43 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.315 0.579 . . . . 0.0 110.742 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.41 -37.8 82.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.799 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.413 ' OE1' ' HB ' ' A' ' 131' ' ' ILE . 41.7 mt-30 -64.81 -43.55 92.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.03 92.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.535 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.39 -49.13 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.802 179.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.566 HD12 HD23 ' A' ' 135' ' ' LEU . 2.5 tm? -54.87 -45.21 74.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.713 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -52.86 -45.15 67.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.835 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 t -68.7 -41.12 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.94 -51.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -61.51 -42.87 99.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.766 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.54 -47.5 83.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.796 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.53 -40.67 85.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.533 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -66.76 -34.78 78.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.124 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 107' ' ' PHE . 33.0 mtm180 -72.78 -30.77 64.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.012 0.434 . . . . 0.0 111.244 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -77.34 -45.24 26.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.992 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -70.87 -35.71 72.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.58 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.76 -13.89 63.12 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 75.2 tttt -125.95 175.04 7.98 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 86' ' ' TYR . . . 130.73 -16.6 5.32 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.451 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 19.5 m-85 42.36 86.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.281 1.033 . . . . 0.0 112.615 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -95.13 123.77 38.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.543 0.687 . . . . 0.0 110.487 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.0 tp -118.99 115.78 25.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.472 HD13 ' HE2' ' A' ' 139' ' ' MET . 58.5 mt -116.57 141.05 48.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -173.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -140.29 143.27 13.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.669 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.1 p -150.24 -163.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 93' ' ' GLU . 11.9 pt-20 -119.76 -23.22 6.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -170.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.475 ' O ' HG21 ' A' ' 125' ' ' THR . 28.2 m-85 -105.22 -85.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.894 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -172.68 159.71 3.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.198 0.599 . . . . 0.0 109.734 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.679 ' HD3' ' CE2' ' A' ' 40' ' ' TYR . 37.0 Cg_endo -65.19 -27.53 56.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.59 2.193 . . . . 0.0 112.424 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.31 -5.12 59.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.112 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -104.93 -2.33 24.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.03 133.4 48.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.411 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.02 85.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.374 0.607 . . . . 0.0 109.856 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.413 ' HB ' ' OE1' ' A' ' 100' ' ' GLN . 30.9 pt -142.53 -174.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -56.26 130.72 45.62 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 110.701 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.3 pm0 -70.01 -29.88 67.06 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.983 -174.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 6.1 p-10 -73.5 -29.11 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.255 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 103' ' ' LEU . 5.6 tt -81.34 -41.3 22.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.68 -22.78 66.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.121 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 p -78.55 -28.91 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 32.5 mmt180 -72.28 -15.11 61.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.032 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.472 ' HE2' HD13 ' A' ' 120' ' ' LEU . 88.0 mmm -62.94 -17.33 61.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.67 4.24 8.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -87.43 12.39 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.16 159.83 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.408 ' N ' HD11 ' A' ' 143' ' ' LEU . 6.3 mp -81.93 154.72 25.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.95 114.98 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 36.7 m-85 -118.12 144.38 45.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.143 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 121.285 0.565 . . . . 0.0 110.669 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.828 ' HG2' ' H ' ' A' ' 35' ' ' HIS . 80.3 tttt . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 120.626 0.25 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.828 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -169.2 -171.87 1.39 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.128 0.571 . . . . 0.0 109.782 174.395 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.55 177.38 17.47 Favored Glycine 0 C--N 1.333 0.378 0 O-C-N 123.562 0.539 . . . . 0.0 114.064 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.4 mt-30 -71.26 -76.38 0.11 Allowed 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -94.77 103.15 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.448 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 HG23 HG11 ' A' ' 41' ' ' VAL . 70.1 mt -135.52 132.95 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 111.243 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 42' ' ' TRP . 52.2 t80 -106.05 122.56 46.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.434 172.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 39' ' ' ILE . 11.0 m -123.39 110.73 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.265 0.555 . . . . 0.0 111.459 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 9.7 p-90 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 41.0 p-80 -59.94 -30.56 69.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 tp -71.4 -29.43 64.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.897 0.38 . . . . 0.0 110.904 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 ' HB1' ' A' ' 88' ' ' ALA . 7.8 mp -73.73 -34.28 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.831 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 13.6 pt20 -62.92 -35.92 81.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.299 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.78 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.7 t90 -84.72 -41.38 16.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.226 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 69' ' ' TYR . 61.9 t -69.55 -51.18 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.802 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.91 81.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.598 -174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -68.51 -42.02 79.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.38 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 67' ' ' ALA . 24.2 mt -60.52 -50.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.381 178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -78.05 -11.01 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.174 0.512 . . . . 0.0 111.159 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.93 -10.61 59.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.99 8.46 47.86 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.871 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -110.12 154.49 23.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 37.8 t30 -82.6 133.3 35.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.786 0.327 . . . . 0.0 110.216 -176.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . . . -151.96 148.36 27.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.66 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.535 ' HB3' HG23 ' A' ' 57' ' ' VAL . 47.7 p90 -119.06 139.6 51.47 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 78.8 mt -136.33 121.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.124 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.48 ' HB2' HE21 ' A' ' 91' ' ' GLN . 11.9 p-10 -106.76 109.79 21.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.843 0.83 . . . . 0.0 108.807 176.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.87 -32.46 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 113.981 -1.463 . . . . 0.0 114.227 -166.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.19 0.0 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.06 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.8 t -128.73 -28.58 2.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.097 0.475 . . . . 0.0 110.54 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.459 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 74.3 mtm -133.55 142.94 45.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.232 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.26 152.83 18.37 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 tp -88.04 143.4 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.348 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 p -135.11 160.13 39.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.907 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.476 ' O ' ' HD2' ' A' ' 82' ' ' PHE . 5.4 p-10 -73.2 -12.46 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.428 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.55 67.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.033 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.69 -22.52 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.143 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.476 ' HD2' ' O ' ' A' ' 79' ' ' ASP . 76.7 m-85 -68.36 -13.13 62.06 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.03 -23.85 48.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.365 0.602 . . . . 0.0 111.125 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -91.05 148.51 22.34 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.539 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -92.65 -27.69 17.14 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.392 0.615 . . . . 0.0 109.784 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 8.3 m-85 -111.5 108.81 18.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.157 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.732 HD22 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -115.55 124.99 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 0.0 110.965 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.531 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -114.5 109.36 18.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.885 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -111.85 117.67 55.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.124 0.487 . . . . 0.0 110.432 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -101.51 154.52 18.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.48 HE21 ' HB2' ' A' ' 71' ' ' ASP . 15.7 pt20 44.31 60.3 2.87 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.233 0.958 . . . . 0.0 112.359 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.874 HG21 HD23 ' A' ' 120' ' ' LEU . 43.0 t -67.17 -25.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.682 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.931 ' HB3' HD21 ' A' ' 129' ' ' LEU . 8.4 pt-20 -65.9 -10.63 40.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.67 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 58.8 mmtt -112.05 11.5 20.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.589 -175.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.63 142.87 57.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.592 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.24 69.3 2.6 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.285 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.423 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 13.8 t30 59.1 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.423 ' OE2' ' HB3' ' A' ' 97' ' ' ASN . 2.6 mp0 -55.37 -37.5 67.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.24 -28.21 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.922 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.27 -37.31 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.759 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.59 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.149 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.11 -47.41 80.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.08 -45.61 75.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.325 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.522 ' HA ' HD22 ' A' ' 135' ' ' LEU . 61.0 t80 -55.39 -45.7 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 m -59.45 -37.12 77.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.091 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.36 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.569 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.73 -42.84 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.652 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 10.6 t30 -63.65 -41.63 98.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.31 -39.51 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.732 ' HZ ' HD22 ' A' ' 87' ' ' LEU . 15.8 m-30 -72.21 -55.0 7.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.354 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 111' ' ' ARG . 4.4 mmp_? -68.91 -18.71 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.561 -174.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.652 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -67.87 -40.98 83.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.953 -178.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 p -96.01 -33.64 12.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.61 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -89.43 -164.35 1.14 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.989 -0.606 . . . . 0.0 110.628 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 106.14 121.84 4.88 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.142 173.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.475 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 85.1 m-85 -111.99 112.53 24.23 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.727 HD21 ' HE2' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -130.03 123.93 31.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.308 0.575 . . . . 0.0 110.347 -172.113 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.1 tp -121.33 114.05 20.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.628 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 92' ' ' VAL . 97.4 mt -101.31 131.75 47.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.64 -106.41 1.49 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.405 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 71.22 -176.21 0.19 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.843 0.457 . . . . 0.0 110.759 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -114.82 -19.24 11.09 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -118.68 -87.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.515 -0.874 . . . . 0.0 113.059 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.725 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -159.0 152.57 19.07 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.413 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 36.9 Cg_endo -66.37 -36.33 27.77 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.444 2.096 . . . . 0.0 113.156 -172.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -91.53 -8.94 46.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.112 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -108.13 -2.71 19.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.931 HD21 ' HB3' ' A' ' 93' ' ' GLU . 74.2 mt -63.86 165.96 7.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.46 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.86 81.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.724 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.6 pt -135.16 168.38 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.383 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -92.18 171.27 9.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.233 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.91 -32.85 72.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.796 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 15.1 m-20 -56.87 -38.78 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.731 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 104' ' ' PHE . 16.7 mt -82.1 -40.27 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -57.1 -36.0 70.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.9 p -70.47 -41.07 73.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 26.8 mmt180 -73.89 -24.46 59.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 25.1 mmt -65.7 -18.14 65.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 111.138 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.0 -2.85 32.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.441 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.39 11.8 38.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.1 p -122.57 154.08 38.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.0 110.085 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.03 154.02 22.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.65 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.11 116.69 52.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.097 0.475 . . . . 0.0 109.757 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -113.18 118.95 36.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.742 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.314 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HB2' ' HZ2' ' A' ' 34' ' ' LYS . 3.6 ttmp? . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.742 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.511 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 87.6 m-70 -122.36 -169.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.794 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.49 -162.02 20.13 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.468 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 34.9 tt0 -82.71 -64.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.192 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -116.16 106.9 14.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.205 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.7 mt -137.28 137.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.992 0.425 . . . . 0.0 111.393 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.881 ' HH ' HD13 ' A' ' 129' ' ' LEU . 68.8 t80 -113.35 130.32 56.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.879 171.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.5 m -114.61 137.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.136 175.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.5 p-90 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 -178.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.524 ' HA ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -63.04 -60.02 4.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.315 0.507 . . . . 0.0 111.284 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.02 -24.91 47.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.008 0.433 . . . . 0.0 110.649 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 50' ' ' SER . 5.8 mp -69.98 -44.82 68.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.577 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.98 -36.56 82.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.96 97.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.511 ' HD1' ' H ' ' A' ' 35' ' ' HIS . 57.2 t90 -59.3 -45.03 92.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.414 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 69' ' ' TYR . 76.0 t -65.69 -48.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.476 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.28 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.79 -38.99 90.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.099 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.75 87.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.809 0.338 . . . . 0.0 110.435 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.62 -49.18 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.378 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.03 -11.43 59.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.172 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.5 -1.97 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.3 8.68 64.16 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.385 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -106.71 161.72 14.41 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 58.4 t30 -89.39 133.77 34.37 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.08 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -148.79 155.78 41.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -177.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.06 138.37 17.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.537 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.7 p90 -108.97 130.38 55.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.65 113.64 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.215 0.531 . . . . 0.0 110.135 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.55 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 17.9 m-20 -97.21 110.29 22.87 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.45 -25.19 49.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.25 33.54 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.55 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 42.2 t -156.88 -39.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.862 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.5 mtm -137.88 143.95 42.1 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.188 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.39 156.57 14.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.343 2.028 . . . . 0.0 112.392 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -75.21 143.51 43.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.561 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.17 163.63 32.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -174.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.09 -21.3 62.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.023 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.33 -24.8 57.39 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.341 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.79 -25.35 66.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.01 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.66 -18.64 65.48 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.38 -18.45 36.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.184 0.516 . . . . 0.0 111.509 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -82.8 142.83 31.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.136 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -85.59 -35.1 21.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.73 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 10.9 m-85 -110.66 113.37 25.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.116 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.684 ' HB2' HD21 ' A' ' 118' ' ' LEU . 3.4 mm? -112.79 126.78 55.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.926 0.393 . . . . 0.0 111.275 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.68 124.23 42.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.04 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.24 114.81 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -91.62 132.12 36.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.75 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.696 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 45.7 mt-30 62.22 41.79 10.17 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.568 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.56 -23.72 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.811 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.585 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 1.2 pt-20 -67.35 -18.32 65.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.775 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.696 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 21.6 mmmt -79.52 -8.86 59.44 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.705 0.288 . . . . 0.0 111.224 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.667 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -71.11 141.12 50.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.48 -125.35 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.129 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -96.16 -53.34 3.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.048 0.451 . . . . 0.0 111.022 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.66 -36.34 83.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 3.1 mp0 -65.16 -42.36 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.72 -18.36 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.754 0.311 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.5 ' HA ' ' NH2' ' A' ' 132' ' ' ARG . . . -76.35 -42.03 46.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.642 173.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.8 -50.43 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.806 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.457 HD22 HD12 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -57.23 -46.06 83.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.768 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.02 -43.96 78.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 m -59.88 -36.23 76.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.943 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 103' ' ' LEU . 61.9 mt -61.93 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.3 -48.06 81.7 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.623 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.6 t30 -59.62 -48.52 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -57.27 -48.56 78.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.952 0.406 . . . . 0.0 110.886 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -67.22 -51.06 57.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.667 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.65 -27.8 65.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.106 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.623 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -66.57 -40.0 88.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.231 0.539 . . . . 0.0 110.719 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -93.46 -23.58 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.115 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.61 18.39 66.14 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -124.37 174.37 7.79 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -173.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.17 150.33 12.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 38.8 m-85 -122.4 138.94 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.89 124.47 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 0.0 110.715 -176.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.44 116.39 24.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.47 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.511 ' HG ' HD12 ' A' ' 118' ' ' LEU . 77.5 mt -114.53 141.54 47.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -148.35 131.74 3.91 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.607 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 54.1 m -153.21 -87.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 122' ' ' SER . 15.1 pt-20 174.39 -171.4 0.05 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.203 0.315 . . . . 0.0 110.598 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 125' ' ' THR . 28.5 m-85 62.38 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.551 0.741 . . . . 0.0 111.556 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.2 OUTLIER 174.4 155.46 0.31 Allowed Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 124.367 1.067 . . . . 0.0 109.055 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.4 Cg_exo -59.19 -24.78 75.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.55 2.167 . . . . 0.0 112.732 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.72 3.39 47.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.071 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -109.28 -29.16 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.201 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.881 HD13 ' HH ' ' A' ' 40' ' ' TYR . 94.5 mt -56.23 134.82 53.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.539 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -87.89 86.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.176 0.512 . . . . 0.0 110.01 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.2 pt -136.99 176.33 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.953 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 101' ' ' ALA . 15.5 ttp180 -59.82 126.28 26.95 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 136' ' ' ARG . 10.8 pt-20 -62.3 -23.43 66.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.944 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.44 -30.93 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.231 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.416 ' O ' HD22 ' A' ' 135' ' ' LEU . 7.6 tt -83.39 -35.31 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 139' ' ' MET . 11.4 ttt180 -57.84 -37.98 74.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.248 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.6 p -67.01 -29.73 69.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.304 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 12.5 mmt180 -76.98 -16.94 59.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.033 0.444 . . . . 0.0 110.224 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.566 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 17.8 mmt -65.78 -23.6 66.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.623 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.46 -5.16 54.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.866 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 41.9 m-85 -94.06 6.42 48.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 63.7 m -115.48 147.28 40.81 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.909 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.19 155.57 40.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.1 115.81 49.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.51 162.6 24.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.635 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.087 -179.394 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 tttm . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 14.0 m80 -119.32 -165.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.669 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.0 -173.52 1.06 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.618 0.607 . . . . 0.0 114.618 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 51.7 tt0 -91.71 -45.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.429 -0.385 . . . . 0.0 111.124 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 76.9 m-85 -125.54 89.6 3.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.526 HD12 ' CE1' ' A' ' 145' ' ' TYR . 39.4 mm -117.94 129.67 73.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.971 0.415 . . . . 0.0 111.329 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 51.9 t80 -116.99 123.45 46.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG11 ' HB2' ' A' ' 145' ' ' TYR . 9.6 m -123.78 102.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.423 0.63 . . . . 0.0 111.049 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.588 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 65.0 p-90 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.911 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -55.65 -47.41 76.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.997 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' A' ' 35' ' ' HIS . 54.8 tp -75.3 -27.83 59.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.007 0.432 . . . . 0.0 110.634 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 90' ' ' ASP . 24.1 tp -67.21 -42.12 84.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.948 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -72.26 -33.78 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.04 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.32 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.123 0.487 . . . . 0.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 52.0 t90 -66.31 -34.51 78.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.411 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.539 HG23 ' HB3' ' A' ' 69' ' ' TYR . 85.1 t -75.0 -48.98 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.35 85.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.513 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.79 -40.96 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.48 . . . . 0.0 110.025 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.92 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.653 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 81.6 mt -63.68 -47.96 79.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.627 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -77.46 -9.5 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.256 0.55 . . . . 0.0 110.783 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.25 60.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.152 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . 98.24 17.23 30.06 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.206 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 12.8 mptt -109.96 -176.25 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.085 0.469 . . . . 0.0 111.007 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 33.0 t-20 -101.01 133.26 45.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.158 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -156.48 147.08 21.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.04 17.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 52.0 p90 -115.63 137.71 51.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HE2' ' A' ' 75' ' ' MET . 73.2 mt -125.58 122.22 61.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.225 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 5.8 m-20 -88.21 106.45 18.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.43 -18.3 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -173.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.42 19.03 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.733 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 47.0 t -144.67 -36.0 0.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.439 ' HE2' ' HA ' ' A' ' 70' ' ' ILE . 68.0 mtm -130.69 144.87 55.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.624 -175.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.49 179.38 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.765 2.31 . . . . 0.0 112.59 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 99' ' ' GLU . 58.0 tp -99.51 144.45 28.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -127.1 155.92 42.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.065 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -26.23 67.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.988 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.52 59.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -24.14 60.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.155 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.94 -28.02 30.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.582 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -70.43 139.9 51.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.361 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.01 -25.42 18.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.276 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 35.6 m-85 -112.65 107.48 16.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.241 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 HD21 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -109.0 120.4 42.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 0.0 111.221 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -121.15 113.64 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.117 177.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.5 t -126.81 126.17 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.526 ' HB2' HD22 ' A' ' 53' ' ' LEU . 34.2 t0 -105.96 162.94 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.831 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 61.94 36.77 15.54 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.719 0.637 . . . . 0.0 111.491 172.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.8 p -67.71 119.14 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 8.5 pt-20 172.71 -32.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.461 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 31.3 mmmt -76.03 -9.95 59.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.688 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.32 132.0 48.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -88.92 1.79 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.878 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -131.48 -54.18 1.02 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.601 0.239 . . . . 0.0 111.135 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.43 -43.64 98.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.331 0.586 . . . . 0.0 110.249 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 77' ' ' LEU . 1.8 mp0 -63.91 -40.79 97.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.945 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -69.23 -35.12 75.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.79 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.26 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.08 -49.25 70.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.499 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.492 ' HB3' HD12 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -56.12 -48.2 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.079 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -54.05 -44.15 70.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.728 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -62.61 -34.48 77.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.59 -42.37 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.428 ' CE2' HD13 ' A' ' 103' ' ' LEU . 31.5 m-85 -61.45 -41.13 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.687 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 12.2 t30 -64.86 -28.94 69.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.731 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.48 -57.3 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.466 ' HZ ' HD21 ' A' ' 87' ' ' LEU . 12.6 m-30 -62.38 -52.15 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.732 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.555 HH11 ' HG3' ' A' ' 111' ' ' ARG . 14.9 mmt85 -71.22 -17.71 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.663 -174.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.687 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.7 t-20 -60.06 -60.63 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.199 0.523 . . . . 0.0 110.711 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.7 t -97.6 -28.1 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.837 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.41 21.53 9.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.773 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -107.12 173.37 6.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.94 147.63 17.61 Favored Glycine 0 C--N 1.313 -0.725 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.163 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.497 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 38.1 m-85 -121.65 137.78 54.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.6 tp -138.22 140.51 39.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.36 0.6 . . . . 0.0 110.543 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 39' ' ' ILE . 50.0 tp -143.95 114.8 7.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.579 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 80.4 mt -121.81 145.53 47.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.25 169.74 23.24 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.204 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.1 m 75.2 176.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.665 0.786 . . . . 0.0 112.131 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 13.9 mm-40 64.66 -164.01 0.25 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.926 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.416 ' H ' ' HB3' ' A' ' 123' ' ' GLU . 90.2 m-85 -107.75 -164.26 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.477 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.5 p -67.95 153.69 94.87 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.38 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.516 ' HA ' HD13 ' A' ' 129' ' ' LEU . 36.2 Cg_exo -59.43 -22.65 66.97 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.989 2.46 . . . . 0.0 112.333 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.42 -25.73 65.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.207 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.43 1.73 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.754 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 126' ' ' PRO . 61.2 mt -73.58 133.79 43.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.876 0.37 . . . . 0.0 111.135 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.12 91.12 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.39 0.614 . . . . 0.0 110.156 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.478 HD13 HD21 ' A' ' 135' ' ' LEU . 21.0 pt -143.16 -174.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.168 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.611 ' HD2' ' OD2' ' A' ' 134' ' ' ASP . 4.7 tpp85 -54.38 123.16 12.11 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 171.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.84 -20.75 64.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.111 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.611 ' OD2' ' HD2' ' A' ' 132' ' ' ARG . 10.0 m-20 -69.24 -35.13 75.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 103' ' ' LEU . 6.3 tt -82.35 -35.67 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.949 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -55.4 -38.23 68.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.065 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 3.1 p -70.6 -35.19 72.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.908 0.385 . . . . 0.0 111.16 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -68.92 -18.28 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.169 0.509 . . . . 0.0 110.537 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.444 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 87.0 mmm -77.65 -18.61 56.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.408 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.68 -0.24 54.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.985 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.503 ' HB2' ' NH1' ' A' ' 111' ' ' ARG . 85.4 m-85 -92.7 -2.93 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.15 173.93 6.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 110.966 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.83 153.87 21.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.112 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -129.61 118.58 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.269 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.526 ' CE1' HD12 ' A' ' 39' ' ' ILE . 18.6 m-85 -103.16 120.07 40.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.649 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.647 ' HB2' ' CD1' ' A' ' 56' ' ' TRP . 19.3 pttm . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -152.88 115.12 4.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.34 -169.22 54.81 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.378 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.593 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.9 mt-30 -110.04 -58.97 1.99 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.047 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HE1' ' CD2' ' A' ' 110' ' ' PHE . 75.2 m-85 -104.86 93.04 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 42.9 mm -119.21 126.15 75.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.998 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -109.11 124.22 50.45 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.63 135.6 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 0.0 111.464 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 4.4 p-90 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 53' ' ' LEU . 6.9 m . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -61.19 -36.34 79.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.439 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.0 -26.66 60.56 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.637 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 50' ' ' SER . 8.9 mp -66.66 -39.83 88.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.187 0.518 . . . . 0.0 109.739 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.53 -45.43 94.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.501 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.28 98.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.384 0.611 . . . . 0.0 111.13 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.647 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 72.8 t90 -60.1 -39.35 85.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.528 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 69' ' ' TYR . 73.2 t -72.91 -45.76 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.029 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.2 91.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.227 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 61.0 tp60 -57.89 -44.97 87.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.196 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.25 97.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.27 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.1 mt -58.85 -42.6 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.055 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.83 -27.35 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.207 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.067 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.45 23.95 41.54 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.16 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -121.28 158.54 27.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.522 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 50.8 t30 -83.71 134.27 34.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -174.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.1 144.93 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.286 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.07 36.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.999 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HB2' HG22 ' A' ' 57' ' ' VAL . 89.6 t80 -104.98 107.74 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.27 125.56 73.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.178 0.514 . . . . 0.0 111.636 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.58 100.0 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 91' ' ' GLN . . . -60.17 -21.55 61.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -171.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . . . -88.17 -2.8 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -132.66 -23.73 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 111.158 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mtm -132.11 143.74 50.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.06 152.85 16.56 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.34 2.027 . . . . 0.0 113.273 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.5 tp -82.17 143.63 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.09 158.87 43.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -177.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -63.91 -16.24 60.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.04 0.448 . . . . 0.0 110.623 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.33 -24.37 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.311 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.1 -23.8 49.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.227 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.38 -12.78 61.64 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.19 -22.87 51.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.282 0.563 . . . . 0.0 110.775 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -94.15 139.45 30.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.203 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -82.09 -33.19 29.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.154 174.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -106.32 115.99 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.678 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.612 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -113.22 116.95 30.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.91 117.49 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.61 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.08 123.87 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.34 141.86 34.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 mt-30 68.12 60.08 0.42 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 110.89 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 120' ' ' LEU . 41.3 t -70.26 -22.94 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.684 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.66 -15.14 57.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.088 0.471 . . . . 0.0 111.12 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 29.7 mmmt -82.91 -1.0 51.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.4 144.03 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.412 . . . . 0.0 111.105 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.63 -76.01 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.455 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -157.29 -51.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.386 -0.479 . . . . 0.0 111.458 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.73 -34.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 109.803 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.1 -35.34 80.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.512 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -68.46 -38.55 81.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.57 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.329 0.585 . . . . 0.0 110.177 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.69 -51.6 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.444 177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -57.22 -44.67 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -52.65 -45.37 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.104 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -66.16 -33.92 76.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.083 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 103' ' ' LEU . 69.2 mt -61.84 -44.42 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.603 ' HZ ' ' HE2' ' A' ' 139' ' ' MET . 11.0 m-85 -58.95 -42.99 91.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.652 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 50.3 t30 -57.94 -48.22 80.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.136 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.58 -44.27 80.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.612 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.4 m-30 -61.57 -56.5 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 111.264 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -75.72 -18.43 59.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.159 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.652 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.3 t-20 -70.23 -49.69 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 0.0 110.359 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.3 m -84.39 -30.96 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.354 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 98.24 29.28 7.62 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -132.86 -164.15 1.44 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 114.573 -0.814 . . . . 0.0 109.745 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.421 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 101.45 127.42 6.09 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.195 -1.002 . . . . 0.0 113.682 173.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.593 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 57.7 m-85 -118.73 126.36 51.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.545 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 24.4 tp -133.16 141.13 47.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.144 0.497 . . . . 0.0 110.953 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 55.2 tp -145.32 103.09 3.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.328 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.44 ' HB3' HG21 ' A' ' 92' ' ' VAL . 89.5 mt -115.84 143.94 44.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.643 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.65 132.25 6.39 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.6 t -151.94 36.74 0.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.977 0.389 . . . . 0.0 110.459 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 53.85 -48.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.042 1.737 . . . . 0.0 115.075 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.8 -179.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 118.31 0.504 . . . . 0.0 110.357 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -89.15 161.19 41.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.115 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.36 -27.5 84.98 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.884 2.389 . . . . 0.0 112.545 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -94.29 4.56 53.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -106.39 -29.17 9.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 146.29 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.35 80.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.391 0.615 . . . . 0.0 109.801 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.3 pt -115.52 -176.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.523 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -67.16 131.92 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 136' ' ' ARG . 14.9 tt0 -62.22 -20.45 64.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -173.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.35 -41.61 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.253 0.549 . . . . 0.0 110.417 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.05 -32.48 39.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.538 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 133' ' ' GLU . 66.0 ttt-85 -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.48 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 t -67.91 -28.15 67.25 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.957 0.408 . . . . 0.0 110.758 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 138' ' ' ARG . 22.1 mmt180 -73.76 -28.86 61.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.384 176.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.603 ' HE2' ' HZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -61.98 -20.89 64.35 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.735 -178.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.96 -3.83 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.64 2.15 51.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.03 150.72 38.82 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.699 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.04 154.62 28.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.581 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.15 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.022 0.439 . . . . 0.0 110.291 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -117.04 126.91 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.841 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.615 ' HA ' ' HD1' ' A' ' 56' ' ' TRP . 17.2 ptpt . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.56 -35.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.432 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -159.95 25.79 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.325 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 59.7 tt0 -98.89 -48.55 4.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.773 0.321 . . . . 0.0 110.657 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.553 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -123.42 92.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 HG21 HG11 ' A' ' 41' ' ' VAL . 50.4 mm -121.83 124.9 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.168 0.508 . . . . 0.0 111.32 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 41.8 t80 -108.04 115.03 29.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.031 172.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 145' ' ' TYR . 3.0 m -123.88 102.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.345 0.593 . . . . 0.0 110.499 -178.831 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.224 0.535 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -68.89 -53.7 19.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.889 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.6 -26.84 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.874 0.369 . . . . 0.0 110.485 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 119' ' ' LEU . 36.9 tp -66.99 -51.38 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.44 -33.94 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 110.571 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.24 -30.38 68.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.701 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.615 ' HD1' ' HA ' ' A' ' 34' ' ' LYS . 70.8 t90 -79.97 -41.62 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.427 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 69' ' ' TYR . 46.3 t -59.87 -51.53 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.107 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -64.35 -30.15 71.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.974 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -64.51 -40.75 96.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 178.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.17 61.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 58' ' ' ALA . 88.2 mt -63.85 -49.11 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.168 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.78 -12.72 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.075 0.464 . . . . 0.0 111.089 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.521 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.18 60.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.292 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -95.82 179.53 5.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -105.53 133.26 50.57 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.15 141.85 27.89 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.544 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.83 129.88 30.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.605 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HB3' HG23 ' A' ' 57' ' ' VAL . 45.7 p90 -109.97 128.25 55.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.68 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.8 mt -125.79 127.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.193 0.52 . . . . 0.0 111.108 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.48 106.31 17.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.42 63.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.1 11.67 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.354 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -135.07 -37.87 0.79 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.3 0.572 . . . . 0.0 110.219 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.5 mtm -138.61 143.95 40.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.478 -176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.88 160.84 18.63 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.323 2.015 . . . . 0.0 111.66 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 102' ' ' LEU . 47.9 tp -73.41 142.8 46.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 p -130.14 160.25 34.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.37 0.605 . . . . 0.0 111.889 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.58 -22.62 66.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.303 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.0 65.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.494 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.27 -18.16 47.25 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.433 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 45.1 m-85 -75.67 -13.72 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.609 0.242 . . . . 0.0 111.547 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.65 -23.87 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.663 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.21 141.16 31.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -86.03 -37.29 19.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.417 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.439 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 9.1 m-85 -107.65 114.11 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.052 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.766 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -110.54 133.81 52.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.467 . . . . 0.0 111.273 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.4 113.44 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.7 t -111.02 127.51 68.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 19.0 t70 -106.77 126.08 51.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.693 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 43.6 mt-30 72.67 109.49 0.07 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.051 0.844 . . . . 0.0 111.562 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.1 -28.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.192 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.01 -26.64 68.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.693 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 22.7 mmmt -81.52 -8.6 59.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.889 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -74.36 134.56 42.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.39 -118.28 0.9 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.113 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -106.15 -55.18 2.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.832 0.316 . . . . 0.0 110.964 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.47 -42.55 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.799 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.477 ' HB3' HD23 ' A' ' 95' ' ' LEU . 2.0 mp0 -59.8 -42.46 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.145 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.65 -36.95 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.901 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.43 83.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.502 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.49 -49.03 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.327 177.2 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.676 HD12 HD13 ' A' ' 135' ' ' LEU . 0.6 OUTLIER -56.52 -44.92 81.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.17 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.3 -44.51 68.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.878 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.433 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 2.5 t -68.32 -32.42 72.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.261 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.427 HD11 HD23 ' A' ' 103' ' ' LEU . 72.4 mt -62.87 -45.56 98.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.34 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -59.93 -40.14 87.89 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.576 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.616 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 8.4 t30 -58.82 -47.79 83.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.758 177.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 109' ' ' ARG . 13.4 ttp180 -60.24 -46.72 88.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.674 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.766 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -65.85 -50.02 66.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.562 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -68.73 -35.28 76.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.731 0.3 . . . . 0.0 111.218 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.616 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 t-20 -71.64 -41.23 69.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.121 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.5 m -85.69 -22.38 27.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.63 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 19.07 79.1 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -134.84 174.61 10.39 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.411 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 93.02 152.33 29.06 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 67.9 m-85 -125.79 140.44 52.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.775 0.322 . . . . 0.0 110.629 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.7 tp -139.35 139.47 37.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.323 0.582 . . . . 0.0 110.396 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 53' ' ' LEU . 53.2 tp -134.52 123.64 24.24 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.221 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.1 mt -123.1 113.27 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.36 -54.1 2.92 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.5 m 65.53 -159.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.903 -0.649 . . . . 0.0 111.969 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -122.84 -32.49 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.124 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 85.2 m-85 -133.87 -87.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.622 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -163.34 153.87 13.73 Favored Pre-proline 0 N--CA 1.466 0.364 0 C-N-CA 122.297 0.239 . . . . 0.0 110.385 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.538 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 14.7 Cg_exo -67.67 -29.52 36.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.678 2.252 . . . . 0.0 112.632 -174.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.74 -15.98 27.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.681 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -102.76 -23.11 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.362 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 125' ' ' THR . 61.0 mt -60.61 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.015 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.8 77.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.72 0.771 . . . . 0.0 109.517 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.7 pt -119.22 -173.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.444 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -61.69 133.42 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.239 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.23 -24.77 60.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.499 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -73.14 -34.22 65.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.676 HD13 HD12 ' A' ' 103' ' ' LEU . 41.7 tp -83.02 -47.42 11.73 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -61.12 -23.32 65.43 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 p -75.66 -28.55 58.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.949 0.404 . . . . 0.0 110.973 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -77.74 -16.55 58.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.419 0.628 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 25.8 mmt -67.77 -18.73 64.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.692 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.54 -12.57 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.897 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -81.5 -1.14 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.958 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.71 151.78 25.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.33 154.55 27.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.591 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.86 123.55 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.85 0.357 . . . . 0.0 110.631 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.479 ' HB2' HG12 ' A' ' 41' ' ' VAL . 97.9 m-85 -126.36 136.22 52.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.716 175.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.236 0.364 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.369 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.654 ' HE2' HD23 ' A' ' 119' ' ' LEU . 22.5 p80 -136.67 178.75 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 -170.48 4.67 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 123.444 0.465 . . . . 0.0 114.241 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 49.3 mt-30 -66.91 -85.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 97.2 m-85 -85.8 99.97 11.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.447 -175.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 145' ' ' TYR . 45.8 mm -129.29 128.43 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -174.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.67 129.39 56.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.424 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 145' ' ' TYR . 30.4 m -121.81 145.4 28.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.647 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.7 m0 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.084 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -54.88 -33.11 61.6 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -172.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 tp -76.11 -45.42 33.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.002 0.43 . . . . 0.0 110.961 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.45 -35.78 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.542 -175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.98 89.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.604 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 49.8 t90 -74.19 -34.86 63.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.768 -175.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 69' ' ' TYR . 44.2 t -72.16 -44.87 64.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.203 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.03 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.614 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.95 -29.25 66.33 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.853 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.01 73.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 110.132 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.0 -44.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.681 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.16 -14.65 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.918 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.47 1.4 48.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.974 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.81 29.74 57.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.747 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -123.06 155.33 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.545 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 29.8 t-20 -80.82 133.67 35.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -154.95 142.86 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.31 138.14 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.521 ' HB3' HG22 ' A' ' 57' ' ' VAL . 13.1 p90 -114.26 132.04 56.28 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -128.37 120.14 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.09 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -98.82 113.32 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -69.18 6.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.472 -173.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.92 -18.14 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 t -134.06 -15.6 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.276 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 71.6 mtm -138.51 144.02 40.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.578 0.227 . . . . 0.0 110.765 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 23.2 Cg_endo -90.82 158.25 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.081 2.521 . . . . 0.0 112.139 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 102' ' ' LEU . 41.7 tp -79.25 144.03 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -130.01 166.63 19.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.936 0.398 . . . . 0.0 111.164 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -73.96 -17.97 60.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -25.24 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.486 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.94 -25.71 58.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.252 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -69.93 -12.73 61.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.8 -25.63 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 111.023 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -86.12 151.97 23.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.686 -172.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -90.71 -35.83 14.68 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.509 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 14.6 m-85 -107.91 113.73 27.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.581 HD21 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -118.67 121.94 41.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.74 119.8 33.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.417 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.0 t -111.04 114.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.163 0.506 . . . . 0.0 110.177 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -93.25 131.44 38.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.112 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.79 ' HA ' ' HB3' ' A' ' 122' ' ' SER . 1.9 mp0 61.85 78.51 0.29 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.728 0.411 . . . . 0.0 111.045 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.479 HG13 ' OG ' ' A' ' 122' ' ' SER . 14.5 p -79.1 -19.16 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 109.796 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.605 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 7.9 pt-20 -61.04 -19.22 61.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.379 176.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.605 ' HD3' ' HG3' ' A' ' 93' ' ' GLU . 7.8 mptt -93.92 7.75 43.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -174.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 99' ' ' GLU . 77.1 mt -86.61 134.5 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.55 -87.63 1.68 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.292 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -105.88 -81.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.694 -172.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.13 -34.15 77.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.961 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.515 ' HB3' HD21 ' A' ' 95' ' ' LEU . 16.0 mp0 -65.8 -41.1 92.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.757 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 131' ' ' ILE . 22.7 tt0 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.13 -178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.86 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.499 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -67.0 -48.4 68.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.433 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.11 -45.88 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.45 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.74 -43.05 85.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.852 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.3 t -61.56 -38.14 86.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.353 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 102' ' ' LEU . 66.2 mt -59.26 -47.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.652 176.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -56.6 -45.39 81.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.788 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.681 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.9 t30 -60.59 -51.2 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.36 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -53.73 -45.91 70.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.545 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.581 ' HZ ' HD21 ' A' ' 87' ' ' LEU . 16.6 m-30 -73.59 -54.99 6.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.943 -176.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -65.49 -25.02 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.334 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.681 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.8 t-20 -75.2 -28.16 59.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 0.0 110.634 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 t -95.3 -43.76 7.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 -29.49 5.69 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -82.65 -165.05 0.95 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.979 -0.61 . . . . 0.0 110.601 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.439 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 96.87 128.76 5.96 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 56.6 m-85 -114.01 115.94 28.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -122.42 131.99 54.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.419 . . . . 0.0 110.225 -173.257 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.654 HD23 ' HE2' ' A' ' 35' ' ' HIS . 62.9 tp -134.34 120.95 20.53 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.714 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 98.9 mt -118.79 138.34 52.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -149.93 114.32 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.264 -0.97 . . . . 0.0 113.16 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.79 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 11.4 p 179.6 -171.15 0.15 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.264 0.625 . . . . 0.0 109.88 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 44.12 -163.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.335 1.022 . . . . 0.0 112.996 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -107.34 -33.52 7.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.53 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 1.1 p -158.34 155.33 25.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.46 -15.32 47.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -67.93 -21.44 65.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.501 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 125' ' ' THR . 3.2 pt20 -106.87 8.21 30.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.426 HD23 HG12 ' A' ' 92' ' ' VAL . 10.4 mt -71.61 137.32 47.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 29.5 t -95.44 77.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.188 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.455 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 31.8 pt -132.34 156.55 42.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.272 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 132' ' ' ARG . 2.5 tpm_? -62.92 145.27 55.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 24.3 mp0 -61.61 -28.02 69.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 -175.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 19.0 m-20 -70.62 -22.75 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.968 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.2 tt -82.35 -33.61 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -65.43 -33.95 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.722 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.0 p -69.06 -34.84 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.666 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 18.9 mmt180 -69.2 -27.84 65.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.82 -21.67 66.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.088 0.471 . . . . 0.0 111.138 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.72 -6.27 51.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.522 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.406 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 74.6 m-85 -92.6 8.56 38.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.422 . . . . 0.0 110.12 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 59.2 m -117.6 167.29 11.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.509 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.41 154.29 18.93 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 115.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.991 0.424 . . . . 0.0 110.206 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' A' ' 39' ' ' ILE . 2.8 m-85 -99.68 118.3 35.89 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.333 0.587 . . . . 0.0 110.656 -179.114 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.435 0.16 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -166.43 123.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.983 0.513 . . . . 0.0 110.065 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.45 174.76 13.77 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.305 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -126.44 -38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.611 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -133.31 81.52 1.94 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.963 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.6 mt -131.47 133.32 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.502 0.668 . . . . 0.0 111.822 -174.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.406 ' N ' ' HG ' ' A' ' 142' ' ' CYS . 69.4 t80 -108.42 121.67 45.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.139 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 26.5 m -112.55 143.51 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.015 0.436 . . . . 0.0 110.511 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' A' ' 122' ' ' SER . 13.5 p-90 . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.181 0.515 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -68.82 -51.31 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.861 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.57 -26.49 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.34 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -43.83 91.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.233 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.37 -37.06 82.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.507 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.68 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.5 . . . . 0.0 110.304 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -65.96 -41.89 90.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.529 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 69' ' ' TYR . 77.4 t -67.21 -46.0 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.073 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.98 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.929 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -66.31 -34.55 78.24 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.397 -177.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.72 77.82 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.918 0.39 . . . . 0.0 110.203 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 63.6 mt -60.01 -48.01 83.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.982 177.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.61 -16.31 62.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.12 0.91 50.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.755 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.68 9.18 81.71 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.263 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -99.14 159.94 14.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.56 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 18.4 t-20 -90.58 133.58 34.99 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -154.17 145.84 23.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 -176.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.65 139.47 21.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.864 0.364 . . . . 0.0 111.271 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' HB3' HG22 ' A' ' 57' ' ' VAL . 32.6 p90 -109.32 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.71 125.77 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.39 -173.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.06 109.76 22.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.27 60.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -172.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.82 -41.0 13.56 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -98.39 -27.38 14.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -125.7 144.56 48.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -82.49 153.63 15.81 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.563 2.176 . . . . 0.0 111.942 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 102' ' ' LEU . 27.7 tp -81.92 143.57 31.56 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 165.45 27.19 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.97 -172.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -66.24 -21.22 66.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.351 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.27 -25.12 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.735 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.87 -20.12 64.82 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.093 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -75.46 -14.51 60.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.92 -24.29 35.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.554 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -84.4 145.04 28.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.701 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -92.17 -33.2 14.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.306 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 12.7 m-85 -108.05 109.56 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.984 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.72 HD21 ' HZ ' ' A' ' 110' ' ' PHE . 3.6 mm? -110.37 123.78 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 0.0 111.352 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.26 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.845 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.39 118.41 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -102.46 136.08 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.834 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.467 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 45.0 mt-30 64.08 61.69 0.91 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.713 0.633 . . . . 0.0 111.486 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.36 -30.24 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.781 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.836 ' HB3' HD22 ' A' ' 129' ' ' LEU . 11.0 pt-20 -66.95 -19.17 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.623 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -94.8 12.74 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.909 -175.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -67.17 153.3 44.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 176.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.39 -81.48 1.6 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.911 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -150.48 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.176 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.37 -35.48 73.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.706 0.765 . . . . 0.0 109.775 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.454 ' HB3' HD22 ' A' ' 95' ' ' LEU . 25.8 mp0 -62.04 -33.95 75.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.384 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.8 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.375 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.11 -47.8 72.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -55.5 -47.25 76.51 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.6 178.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.35 -41.16 84.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.3 m -62.95 -32.9 74.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.888 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 103' ' ' LEU . 70.5 mt -63.11 -47.24 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.373 175.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -58.42 -44.28 89.0 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.982 0.42 . . . . 0.0 110.358 174.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.637 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 55.6 t30 -56.54 -44.33 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.757 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -62.0 -54.24 44.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.72 ' HZ ' HD21 ' A' ' 87' ' ' LEU . 21.5 m-30 -66.58 -40.88 89.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.552 -174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -66.04 -40.16 90.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.794 0.33 . . . . 0.0 110.724 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.637 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 m-20 -75.12 -38.8 60.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.697 -176.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 t -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 0.0 111.378 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.77 -25.03 26.92 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 116' ' ' GLY . 64.8 tttp -90.73 172.53 8.58 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 115' ' ' LYS . . . 94.48 151.57 28.4 Favored Glycine 0 C--N 1.313 -0.699 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.973 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.18 136.04 50.56 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.428 HD13 ' HE2' ' A' ' 110' ' ' PHE . 21.8 tp -129.09 136.42 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.443 0.639 . . . . 0.0 110.732 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.6 tp -131.35 111.9 12.26 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.765 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.82 132.95 52.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.599 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -127.41 148.39 17.47 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.743 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -164.36 175.2 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -99.63 -24.39 14.75 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.539 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -109.4 -173.43 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.607 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 p -95.44 153.67 39.5 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.8 -31.05 94.41 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.33 2.687 . . . . 0.0 114.107 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.1 -6.6 59.0 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -128.24 13.61 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.725 0.298 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.836 HD22 ' HB3' ' A' ' 93' ' ' GLU . 78.7 mt -70.96 154.88 41.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.303 175.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.67 80.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.19 0.519 . . . . 0.0 110.121 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -139.22 161.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.596 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -80.52 168.6 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 111.333 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -56.18 -56.73 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.034 -168.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.12 -39.82 83.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.456 HD11 HD13 ' A' ' 103' ' ' LEU . 40.2 tp -71.4 -35.1 70.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.114 0.483 . . . . 0.0 110.127 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -61.59 -40.26 94.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.381 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.0 p -72.4 -37.3 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.893 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.579 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 9.6 mmt180 -63.36 -33.95 76.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.841 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.249 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.59 -12.17 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.756 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 26.2 m-85 -80.91 -16.02 54.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.468 . . . . 0.0 110.383 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.406 ' HG ' ' N ' ' A' ' 40' ' ' TYR . 32.7 t -90.24 144.14 26.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.482 -176.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.45 156.22 35.33 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.65 116.54 48.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.683 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 83.6 m-85 -131.22 155.71 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.497 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . 0.436 ' HB3' ' NE1' ' A' ' 42' ' ' TRP . 3.6 pt-20 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.199 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.639 0.257 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -126.09 139.0 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.527 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.15 -136.6 48.27 Favored Glycine 0 N--CA 1.454 -0.119 0 O-C-N 123.61 0.569 . . . . 0.0 113.193 173.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 1.2 pt20 -134.51 -85.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.284 0.042 . . . . 0.0 110.928 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 117' ' ' PHE . 98.7 m-85 -73.29 99.38 2.88 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 177.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mm -111.09 122.08 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.636 0.731 . . . . 0.0 110.989 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.721 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 58.2 t80 -125.42 130.34 51.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.322 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.16 117.5 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.024 0.44 . . . . 0.0 110.851 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CD2' HG21 ' A' ' 125' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.658 0.742 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 121.497 0.665 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -61.52 -34.69 75.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.171 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.38 -30.45 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 119' ' ' LEU . 14.4 tp -64.63 -42.71 95.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.38 -37.2 71.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.578 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' A' ' 59' ' ' GLN . . . -59.27 -45.51 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.076 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.6 t90 -58.34 -38.97 78.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.277 -177.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' ' 69' ' ' TYR . 59.2 t -63.1 -46.28 96.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.59 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 55' ' ' ALA . 14.1 mm100 -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.119 0.485 . . . . 0.0 110.412 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.69 80.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 82.8 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.53 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.18 -28.58 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.321 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.19 -6.2 50.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.36 26.55 63.39 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.262 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -115.28 158.57 22.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 44.0 t30 -82.48 133.4 35.2 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.235 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.7 129.41 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.597 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.18 138.44 46.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.452 ' HB3' HG23 ' A' ' 57' ' ' VAL . 41.9 p90 -117.28 133.78 55.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 77' ' ' LEU . 73.4 mt -127.39 114.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.845 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.926 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 15.4 p-10 -94.13 102.03 14.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.795 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.78 61.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.547 -169.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.75 25.24 7.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.072 0.463 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.543 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 28.0 t -158.26 -36.51 0.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 48.1 mtm -126.05 145.23 51.46 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.387 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.19 153.72 41.1 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.214 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' HA ' HG23 ' A' ' 70' ' ' ILE . 36.5 tp -76.15 144.18 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -131.54 153.93 49.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.383 . . . . 0.0 111.144 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.66 -15.45 60.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.892 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.14 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.338 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 87' ' ' LEU . . . -53.27 -24.25 11.04 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -66.96 -13.55 61.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -22.48 63.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.085 0.469 . . . . 0.0 111.111 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -102.13 149.15 24.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.477 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -88.3 -31.66 18.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.581 0.705 . . . . 0.0 109.425 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -99.32 106.77 18.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.609 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.0 mm? -111.98 130.63 55.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.84 26.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.6 125.52 59.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.926 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.2 t70 -100.11 120.36 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.747 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 61.67 94.74 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.774 0.797 . . . . 0.0 111.606 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.07 -25.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.738 -169.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -19.82 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 21.8 mmmt -83.42 4.6 26.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -173.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.0 145.33 30.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.28 -82.99 0.73 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.77 -54.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.98 -36.57 79.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.91 -29.01 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.334 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -71.73 -35.81 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.055 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.69 77.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 0.0 110.052 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.7 tm? -64.84 -49.55 70.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.009 175.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.87 -45.03 82.76 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.348 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB2' HD12 ' A' ' 135' ' ' LEU . 86.5 t80 -52.0 -47.65 64.83 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.888 175.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -62.77 -35.7 80.69 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.379 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.4 mt -59.53 -49.95 81.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.4 -45.11 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.941 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 66.9 t30 -64.61 -46.2 83.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.766 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -55.68 -48.45 75.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.535 ' HE2' ' HB2' ' A' ' 118' ' ' LEU . 17.2 m-30 -62.24 -44.11 97.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -65.57 -33.45 75.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -70.04 -43.45 71.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 -36.26 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.85 -9.97 58.59 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -137.94 172.96 12.16 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.6 150.16 7.93 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -171.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 24.3 m-85 -116.7 -76.41 0.57 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.354 -174.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.535 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 40.0 tp 70.96 142.12 0.05 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.872 0.844 . . . . 0.0 111.406 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.405 HD21 HD11 ' A' ' 53' ' ' LEU . 66.8 tp -140.67 127.88 21.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.632 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.71 117.46 28.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.968 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.84 70.99 2.82 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -76.87 140.54 40.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.223 0.535 . . . . 0.0 111.611 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.15 -14.38 31.23 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.799 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -134.23 167.73 20.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 110.82 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.549 HG21 ' CD2' ' A' ' 42' ' ' TRP . 22.5 p -76.83 160.27 77.02 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.594 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.07 -17.29 24.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.139 1.892 . . . . 0.0 111.257 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.84 -34.47 69.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.67 -4.66 22.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 125' ' ' THR . 85.0 mt -81.48 132.41 35.32 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.625 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.39 84.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.379 0.609 . . . . 0.0 110.026 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.21 176.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.214 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -73.32 148.94 43.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.56 -27.08 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.79 -176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.28 -41.36 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 104' ' ' PHE . 62.1 tp -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.269 0.557 . . . . 0.0 109.851 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.359 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.4 m -66.94 -39.48 87.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.492 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.434 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 16.9 mmt180 -69.22 -14.06 62.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.713 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.55 -18.46 63.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.149 0.499 . . . . 0.0 110.781 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.97 3.79 40.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 23.2 m-85 -93.97 9.58 36.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.323 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.7 p -132.68 158.77 41.47 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.869 0.366 . . . . 0.0 110.699 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.67 154.18 21.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.799 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.721 ' HA ' ' O ' ' A' ' 40' ' ' TYR . 44.4 t -133.92 128.87 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.7 139.68 34.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.868 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 0.0 110.081 -177.867 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HG3' ' HE1' ' A' ' 56' ' ' TRP . 37.1 ttpt . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.7 m80 66.04 69.33 0.44 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.01 -167.93 24.18 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.535 -0.84 . . . . 0.0 113.27 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.28 -53.48 0.96 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.087 0.47 . . . . 0.0 109.788 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 143' ' ' LEU . 67.6 m-85 -106.54 107.45 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.446 HG21 HG12 ' A' ' 41' ' ' VAL . 69.3 mt -129.57 120.92 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.679 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 38.5 t80 -105.47 120.45 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 170.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 145' ' ' TYR . 9.5 m -118.55 128.77 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.05 178.413 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.778 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 3.3 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.747 0.308 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -61.43 -38.05 85.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 110.778 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.49 -51.27 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.778 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 6.7 mp -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.118 -171.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.67 -42.04 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.804 0.335 . . . . 0.0 110.705 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.89 89.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.54 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 34.3 t90 -61.18 -42.95 99.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.783 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 69' ' ' TYR . 42.5 t -67.55 -46.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.761 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.62 76.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.567 0.222 . . . . 0.0 111.249 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -68.27 -38.77 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.103 0.477 . . . . 0.0 110.589 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 65.7 mt -59.01 -48.85 80.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.62 -13.05 60.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 111.391 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.82 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.675 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.29 69.56 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.144 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -112.38 153.98 26.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.7 132.43 38.16 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.96 136.09 22.51 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.088 -173.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.45 17.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.632 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HB3' HG22 ' A' ' 57' ' ' VAL . 22.6 p90 -111.69 125.95 54.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.8 mt -121.22 118.04 54.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.107 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 5.4 p-10 -89.0 120.76 30.7 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 91' ' ' GLN . . . -73.74 -2.35 22.97 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.188 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.34 -42.8 16.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.542 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -115.34 -18.4 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.118 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 60.0 mtm -122.1 145.76 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 111.553 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.84 164.05 8.98 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.758 2.306 . . . . 0.0 111.662 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 106' ' ' ILE . 36.1 tp -88.83 144.21 26.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.945 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.6 p -123.38 157.25 33.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 110.69 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.54 -14.76 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.442 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -24.62 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.969 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.77 -19.77 60.01 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.12 -21.99 64.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.861 0.363 . . . . 0.0 111.158 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.84 -25.02 26.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.215 0.531 . . . . 0.0 110.756 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 110.69 19.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.829 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.02 -30.39 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 22.2 m-85 -97.87 93.04 6.12 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 42.3 tp -113.06 134.11 54.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.216 0.531 . . . . 0.0 110.57 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' A' ' 53' ' ' LEU . . . -125.18 126.8 45.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.956 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 58.9 t -120.85 117.28 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.912 0.387 . . . . 0.0 109.99 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.504 ' HB2' HD21 ' A' ' 53' ' ' LEU . 12.2 t70 -101.09 130.42 47.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.26 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.547 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 40.3 mt-30 57.4 55.75 5.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.189 0.518 . . . . 0.0 111.061 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -56.96 -24.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.275 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 56.4 mmtt -85.93 -9.98 55.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.879 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.548 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 91.0 mt -61.89 139.36 58.38 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.734 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.53 -77.14 0.25 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.222 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.59 -59.89 0.13 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.32 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.9 mp0 -67.15 -32.09 72.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.49 -38.53 84.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.132 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.33 75.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.278 0.561 . . . . 0.0 110.487 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 106' ' ' ILE . 39.7 tp -67.1 -47.75 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.135 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 135' ' ' LEU . 3.1 tm? -57.9 -44.19 86.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.728 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -52.63 -46.0 66.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -64.9 -41.19 95.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.474 HD11 HD21 ' A' ' 77' ' ' LEU . 70.3 mt -65.4 -44.92 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 178.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -40.71 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.245 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 59.5 t30 -59.55 -52.24 66.4 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.918 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' A' ' 109' ' ' ARG . 1.1 tmt_? -55.22 -47.2 75.66 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.473 0.483 . . . . 0.0 111.006 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.01 -54.59 45.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.459 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.42 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 38.6 tpt85 -72.23 -28.71 63.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.986 -176.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.669 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -64.52 -44.51 90.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.272 178.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.6 t -78.43 -35.5 46.8 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.251 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.73 -28.52 13.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.622 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 79.6 tttt -104.86 171.89 7.08 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.403 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 120.21 122.27 2.97 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -98.13 116.82 31.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 87' ' ' LEU . 17.1 tp -125.17 131.55 53.2 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.268 0.556 . . . . 0.0 110.242 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 53' ' ' LEU . 46.6 tp -123.74 109.65 13.95 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.334 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 80.5 mt -108.19 117.74 34.93 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.72 147.59 18.03 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.381 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.2 t -167.07 162.86 15.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.965 0.412 . . . . 0.0 110.119 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -85.01 -21.44 29.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.329 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.9 178.01 4.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.941 0.4 . . . . 0.0 110.661 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.52 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 19.2 p -101.03 153.86 37.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.757 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.679 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 58.5 Cg_endo -71.89 -15.02 29.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.754 2.302 . . . . 0.0 111.831 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -75.82 -13.76 60.29 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.865 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -145.62 23.61 1.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.303 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 125' ' ' THR . 59.7 mt -67.86 133.99 50.11 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.39 76.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.1 pt -139.93 -173.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.377 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 132' ' ' ARG . 12.6 mmt180 -58.24 128.35 36.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.21 -20.42 63.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.096 0.474 . . . . 0.0 109.992 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 9.0 m-20 -58.72 -33.19 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.953 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 139' ' ' MET . 19.5 mt -81.26 -43.36 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.89 176.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.88 -42.27 62.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.379 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -66.99 -32.78 74.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.767 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 14.7 mmt180 -75.89 -24.15 55.62 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.324 . . . . 0.0 110.788 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 26.5 mmt -65.85 -18.73 65.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.717 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.53 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.215 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 89.6 m-85 -97.44 10.56 39.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.443 0.64 . . . . 0.0 109.773 176.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.67 152.56 43.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.977 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 11.5 mt -76.84 161.33 28.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.376 0.607 . . . . 0.0 111.52 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.92 116.75 38.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.471 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.522 ' HB2' HG13 ' A' ' 41' ' ' VAL . 92.5 m-85 -119.61 122.54 41.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.399 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.043 176.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.602 0.239 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 p80 174.64 168.21 0.26 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.008 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -177.46 13.41 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.809 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -58.91 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.431 0.616 . . . . 0.0 111.954 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.504 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 81.5 m-85 -87.03 114.55 23.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.757 -175.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -127.43 130.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 111.171 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.38 127.05 52.77 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 145' ' ' TYR . 14.0 m -128.18 112.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.208 0.528 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.653 -176.224 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -73.26 -33.31 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 0.0 110.727 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.57 -26.95 68.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.087 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.29 -38.72 91.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -43.35 96.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.81 96.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.043 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 41.5 t90 -59.42 -44.38 92.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.01 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 69' ' ' TYR . 61.3 t -64.92 -46.52 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.526 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.99 82.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.45 -36.59 81.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.54 76.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.142 0.496 . . . . 0.0 110.182 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.503 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.55 -21.73 62.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.8 1.77 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.26 32.18 60.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.552 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -122.05 161.06 23.7 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.567 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 47.7 t30 -86.97 133.05 33.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -153.8 147.84 25.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.611 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.21 135.53 10.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 43.1 p90 -107.37 131.38 54.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.401 ' HA ' ' HE2' ' A' ' 75' ' ' MET . 69.3 mt -121.91 124.67 71.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.795 -176.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 2.8 m-20 -82.57 106.03 14.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.8 44.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.932 0.396 . . . . 0.0 111.716 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB1' ' OE1' ' A' ' 91' ' ' GLN . . . -114.36 39.82 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 23.1 t -165.68 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.934 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 70' ' ' ILE . 73.8 mtm -131.05 144.38 53.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.245 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.27 157.94 29.72 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.544 2.163 . . . . 0.0 112.545 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 102' ' ' LEU . 34.8 tp -93.65 143.95 25.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -139.89 157.91 44.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.023 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.69 -14.1 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.3 -25.79 62.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 110.667 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -21.7 61.73 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.843 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.48 -17.81 62.97 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 111.08 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.39 -20.14 34.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.38 0.609 . . . . 0.0 110.497 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.567 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -85.69 137.4 32.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.206 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -90.68 -29.5 17.68 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.463 0.649 . . . . 0.0 110.158 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 74.1 m-85 -112.88 100.61 8.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.64 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 84' ' ' ALA . 3.3 mm? -104.58 133.27 49.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.627 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -126.03 122.95 37.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.634 175.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.431 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 47.0 t -120.91 124.5 72.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.898 0.38 . . . . 0.0 110.32 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.91 148.96 33.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.484 ' OE1' ' HB1' ' A' ' 73' ' ' ALA . 34.4 mt-30 63.58 35.31 11.81 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.7 0.625 . . . . 0.0 110.065 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.706 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 11.8 p -65.21 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.956 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.553 ' HA ' HD22 ' A' ' 129' ' ' LEU . 34.2 mm-40 -65.99 -12.42 54.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.193 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -101.19 14.5 31.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 75.1 mt -56.05 134.85 52.84 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.713 0.292 . . . . 0.0 111.28 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.09 -89.79 1.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.968 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -129.27 -70.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.689 -0.301 . . . . 0.0 110.612 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -62.04 -31.65 72.08 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.235 0.541 . . . . 0.0 110.472 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HB3' HD23 ' A' ' 95' ' ' LEU . 16.8 mp0 -64.06 -40.25 95.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.78 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.16 -45.36 85.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.091 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -67.18 -48.37 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 0.0 109.709 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -44.61 74.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.716 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -52.83 -48.95 66.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.287 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -63.12 -34.48 77.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.286 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 102' ' ' LEU . 65.2 mt -62.11 -46.89 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.571 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.542 ' HE1' ' HG ' ' A' ' 118' ' ' LEU . 3.1 m-30 -64.77 -32.86 74.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.023 177.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -67.43 -39.51 85.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.29 -44.28 97.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.48 -50.45 72.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.603 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.363 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -41.13 82.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.053 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.7 t -98.71 -26.42 14.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.916 0.388 . . . . 0.0 111.375 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.2 20.31 67.52 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 68.9 tttt -114.0 174.16 6.08 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.075 -0.563 . . . . 0.0 109.516 -174.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.424 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 87.78 166.76 42.78 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.135 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.47 -69.4 0.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.542 ' HG ' ' HE1' ' A' ' 107' ' ' PHE . 1.4 tm? 75.54 126.7 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.419 1.074 . . . . 0.0 110.039 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 118' ' ' LEU . 59.2 tp -129.1 130.29 46.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.869 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.431 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 95.6 mt -121.91 122.47 39.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.41 . . . . 0.0 111.041 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.95 -103.72 1.15 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 65.06 -154.67 0.28 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.395 0.617 . . . . 0.0 112.069 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -149.8 166.48 29.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 66.96 -163.23 0.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.276 0.489 . . . . 0.0 109.856 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 p -129.57 152.74 80.2 Favored Pre-proline 0 C--N 1.322 -0.602 0 O-C-N 121.955 -0.466 . . . . 0.0 110.689 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.669 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 38.0 Cg_endo -68.66 -18.39 42.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.576 2.184 . . . . 0.0 111.852 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.83 -19.39 60.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.265 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -90.89 -8.36 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.227 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' A' ' 93' ' ' GLU . 32.8 mt -68.65 134.11 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 112.236 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.36 82.94 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.822 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 26.1 pt -135.81 -174.36 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.005 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.3 mmt-85 -54.1 132.06 42.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.17 -38.17 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.42 -38.1 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.565 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -81.51 -37.05 28.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.125 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.2 -27.74 62.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.434 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -34.71 77.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.081 0.467 . . . . 0.0 109.956 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -68.62 -31.77 71.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.538 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.669 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 24.8 mmt -67.31 -20.48 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.72 8.42 10.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.736 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.53 -12.19 40.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.522 0.201 . . . . 0.0 111.369 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 28.3 p -87.95 141.76 28.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.1 0.476 . . . . 0.0 110.677 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.72 154.24 28.71 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.214 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.4 t -117.71 116.13 50.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.376 . . . . 0.0 110.329 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.484 ' HB2' HG11 ' A' ' 41' ' ' VAL . 36.2 m-85 -107.42 120.72 42.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.929 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.652 174.254 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttp . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HE2' HD23 ' A' ' 52' ' ' LEU . 34.0 m80 -157.83 -171.34 3.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.266 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.08 -146.95 13.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 44.5 tt0 -92.91 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.33 104.36 14.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -123.6 122.85 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -173.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -111.18 123.15 49.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.44 133.27 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.129 0.49 . . . . 0.0 109.815 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -175.145 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 ' HE2' ' A' ' 35' ' ' HIS . 62.4 tp -75.62 -26.92 58.22 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.277 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 50' ' ' SER . 7.2 mp -73.27 -49.59 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.568 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -67.59 -34.09 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.437 0.637 . . . . 0.0 110.099 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.09 -48.21 76.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.63 175.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 42.8 t90 -58.1 -35.66 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.392 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 69' ' ' TYR . 79.5 t -69.93 -55.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.272 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HA ' HD13 ' A' ' 61' ' ' LEU . . . -61.04 -38.37 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.942 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -66.43 -40.58 89.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.99 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.346 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 58' ' ' ALA . 79.8 mt -59.76 -46.42 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.934 176.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.43 -26.53 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.24 -7.29 48.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.46 13.04 42.8 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.708 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -107.39 179.23 4.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 64.2 t30 -110.08 134.57 52.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.775 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -150.95 150.42 30.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.58 138.02 19.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.474 ' HB3' HG23 ' A' ' 57' ' ' VAL . 51.0 p90 -104.94 136.16 44.94 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.98 116.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.496 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.15 94.87 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 91' ' ' GLN . . . -70.92 -7.03 42.95 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -170.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.96 40.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.077 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -129.9 -15.74 3.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.025 0.441 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 87.3 mtp -123.76 150.95 63.4 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -91.84 155.04 3.39 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.935 2.423 . . . . 0.0 111.896 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.92 143.96 29.5 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -133.06 171.13 14.4 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.042 0.449 . . . . 0.0 111.094 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.06 -12.85 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.81 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.38 -26.11 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.862 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.516 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.7 m-85 -66.47 -20.2 65.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.694 0.283 . . . . 0.0 111.478 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -82.08 -21.83 36.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.468 . . . . 0.0 111.354 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -84.17 144.46 28.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.375 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -84.86 -32.91 22.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.866 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.467 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.5 m-85 -116.39 113.7 23.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.336 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.5 mm? -110.0 120.85 43.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.872 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 115.68 25.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.886 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.11 123.74 68.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.93 116.05 28.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.422 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.568 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp0 57.62 72.36 0.52 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 -174.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.517 HG11 ' OG ' ' A' ' 122' ' ' SER . 8.0 p -70.23 -17.94 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.036 0.446 . . . . 0.0 111.222 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB3' HD12 ' A' ' 129' ' ' LEU . 5.3 pm0 -73.6 -7.69 52.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.114 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.0 mmmt -84.25 -3.64 58.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 111.25 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 88.3 mt -75.94 140.5 42.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.664 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.31 -84.83 0.59 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.755 -173.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -129.47 -70.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 111.464 -172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.0 -36.6 84.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.298 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.7 mp0 -60.09 -36.93 78.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.981 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' HG3' ' A' ' 132' ' ' ARG . 67.7 mt-30 -71.29 -34.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.682 0.277 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.13 72.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 0.0 110.08 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -65.91 -48.72 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.404 176.242 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 135' ' ' LEU . 2.8 tm? -55.07 -45.29 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.884 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.49 ' HD1' ' HG3' ' A' ' 138' ' ' ARG . 42.4 t80 -52.36 -50.57 62.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 174.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.516 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 7.5 t -60.74 -38.36 84.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.746 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 102' ' ' LEU . 76.3 mt -58.12 -52.38 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.8 -43.43 90.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.0 -53.58 51.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.34 -40.86 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.712 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.4 -38.42 87.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.695 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 111' ' ' ARG . 26.4 mmt180 -74.98 -26.13 59.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.547 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -41.99 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -78.73 -40.78 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.053 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.83 -19.33 52.68 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 115' ' ' LYS . 2.3 tmmt? -106.65 173.47 6.3 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.44 144.38 12.52 Favored Glycine 0 C--N 1.32 -0.341 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.619 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 71.5 m-85 -120.46 140.87 50.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.767 0.318 . . . . 0.0 110.715 -175.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -137.87 130.19 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -176.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.03 115.39 18.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.927 0.394 . . . . 0.0 109.98 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.53 122.9 49.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.4 105.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.517 ' OG ' HG11 ' A' ' 92' ' ' VAL . 44.6 m -129.12 -179.28 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 124' ' ' TYR . 7.7 tp10 -102.99 112.51 25.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.02 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.442 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 40.1 m-85 72.73 -176.8 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.292 0.637 . . . . 0.0 111.758 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -85.21 155.1 60.45 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.82 -173.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.73 -22.59 62.06 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.505 2.803 . . . . 0.0 113.909 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -80.61 -19.08 46.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -92.78 -14.27 28.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 109.925 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 93' ' ' GLU . 96.9 mt -91.48 134.84 34.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.404 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -92.23 89.21 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 0.0 110.23 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.44 -175.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.506 ' HG3' ' OE1' ' A' ' 100' ' ' GLN . 48.2 mtp180 -63.46 132.04 50.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.34 -42.43 77.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.875 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.703 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 30.7 t70 -63.54 -39.67 95.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.46 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 103' ' ' LEU . 58.7 tp -64.91 -35.52 81.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.17 -40.84 95.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.189 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 134' ' ' ASP . 13.7 t -76.85 -20.59 56.13 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.828 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 23.8 mmt180 -77.24 -23.5 51.29 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.133 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.68 -20.8 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.84 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.27 -4.74 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -92.69 18.64 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 0.0 111.26 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 28.9 p -136.48 162.83 31.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.03 154.38 22.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -119.25 117.24 53.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.844 0.354 . . . . 0.0 110.139 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -98.25 123.73 42.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.828 176.112 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' HD23 ' A' ' 119' ' ' LEU . 4.6 p80 -177.46 -28.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.34 -176.35 19.67 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.043 -1.075 . . . . 0.0 113.057 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 56.0 tt0 -80.28 -77.11 0.2 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.608 0.363 . . . . 0.0 111.933 -176.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.18 99.41 11.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' HD11 ' A' ' 119' ' ' LEU . 50.6 mm -121.73 124.04 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.14 0.495 . . . . 0.0 111.313 -174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 56.9 t80 -109.98 125.3 52.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.221 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.9 143.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.572 0.701 . . . . 0.0 110.367 179.46 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.57 ' HA ' HD13 ' A' ' 53' ' ' LEU . 34.7 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.508 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 7.3 p-80 -64.49 -32.8 74.58 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.959 1.254 . . . . 0.0 111.356 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 53' ' ' LEU . 3.1 pp -76.39 -26.11 55.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.619 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.3 mp -74.46 -47.72 31.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 176.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.508 ' HG2' ' HA ' ' A' ' 51' ' ' HIS . 12.1 pt20 -63.28 -39.18 93.86 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.111 -174.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.78 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.66 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.478 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.1 t90 -69.76 -41.84 74.64 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.646 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 69' ' ' TYR . 72.4 t -62.94 -51.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.867 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.83 85.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.305 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.16 -39.0 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.397 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.76 77.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.598 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.12 -49.37 77.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.91 -7.82 56.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.185 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.12 59.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.267 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.62 24.22 39.88 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.397 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -109.51 159.7 16.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.34 132.35 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -157.7 141.31 15.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.749 -174.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.82 140.75 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.482 ' HB3' HG21 ' A' ' 57' ' ' VAL . 50.9 p90 -118.42 132.79 56.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HA ' ' HE2' ' A' ' 75' ' ' MET . 72.8 mt -120.99 128.25 76.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -176.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 1.7 m-20 -91.73 109.28 20.59 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.65 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.25 -3.21 34.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 33.4 t -125.98 -29.9 3.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.28 0.562 . . . . 0.0 110.547 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 70' ' ' ILE . 78.9 mtm -136.05 144.23 47.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.034 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.38 163.0 17.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.344 2.029 . . . . 0.0 111.616 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 37.0 tp -86.34 144.19 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.2 p -123.84 161.29 25.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -74.84 -18.71 60.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -24.49 66.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.012 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.24 -18.1 56.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.835 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.14 -27.5 69.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -78.67 -24.74 44.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.67 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB3' HD22 ' A' ' 87' ' ' LEU . . . -72.67 119.74 17.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.424 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.39 -33.72 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.767 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.478 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 10.5 m-85 -111.83 100.55 9.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 84' ' ' ALA . 1.5 tm? -116.0 130.55 56.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.0 110.463 -173.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -130.56 136.04 48.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.89 133.52 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.829 0.347 . . . . 0.0 110.483 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.95 136.71 46.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 65.56 42.16 3.81 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.631 0.582 . . . . 0.0 111.183 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.68 HG23 HD23 ' A' ' 120' ' ' LEU . 21.3 t -55.04 -30.64 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.732 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -32.65 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.17 19.62 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -172.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.623 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -80.31 138.59 36.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 170.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 69.91 0.81 Allowed Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.708 -0.758 . . . . 0.0 114.055 -172.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.6 t30 70.89 -60.22 0.51 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.112 0.565 . . . . 0.0 112.145 175.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.71 -53.29 53.5 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.342 0.257 . . . . 0.0 111.08 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.4 mp0 -67.64 -28.9 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.14 -42.18 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.075 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.94 72.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -66.2 -49.3 67.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.379 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.56 -44.05 76.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.298 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.571 ' HD1' ' HG ' ' A' ' 135' ' ' LEU . 77.1 t80 -55.62 -42.43 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 176.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.458 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.53 -45.41 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.942 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.84 -41.58 82.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.092 0.472 . . . . 0.0 109.975 173.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 36.1 t30 -58.45 -53.83 53.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.469 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.06 -35.84 79.84 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.146 -175.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CD1' ' HA3' ' A' ' 116' ' ' GLY . 20.8 m-30 -68.77 -54.41 16.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.916 0.388 . . . . 0.0 110.477 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.55 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -66.41 -46.21 77.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.824 -175.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.9 p -82.03 -43.16 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.503 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.27 -2.82 43.54 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.77 173.22 6.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.554 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 103.64 143.42 12.68 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.895 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CD2' ' HG3' ' A' ' 37' ' ' GLN . 76.9 m-85 -127.27 127.14 43.89 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.44 HD13 ' HE2' ' A' ' 110' ' ' PHE . 22.1 tp -126.01 138.0 53.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.278 0.561 . . . . 0.0 111.126 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -128.79 122.75 31.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.35 177.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.68 HD23 HG23 ' A' ' 92' ' ' VAL . 89.6 mt -121.42 127.19 50.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.54 146.57 17.87 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.6 t -160.53 -178.77 7.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.192 0.496 . . . . 0.0 110.627 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.45 -14.56 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.987 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -133.94 -175.46 3.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' A' ' 126' ' ' PRO . 6.6 p -74.81 155.18 87.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.287 175.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.671 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 37.1 Cg_endo -63.89 -30.48 67.69 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 122.99 2.46 . . . . 0.0 113.898 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.33 -4.46 42.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.721 0.296 . . . . 0.0 111.088 -176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -101.23 -6.21 24.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.313 0.578 . . . . 0.0 109.765 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 125' ' ' THR . 96.1 mt -71.31 139.04 49.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.46 79.98 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.583 0.706 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.8 pt -131.79 -173.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.538 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.574 ' HB2' ' HB2' ' A' ' 135' ' ' LEU . 4.5 mmp_? -47.73 130.64 14.61 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.562 0.539 . . . . 0.0 110.456 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 136' ' ' ARG . 37.2 tt0 -65.38 -34.01 77.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.147 -175.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.09 -42.44 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 132' ' ' ARG . 3.7 tt -61.84 -38.83 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.074 -175.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 133' ' ' GLU . 16.9 ptp180 -65.02 -22.08 66.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 p -80.43 -30.43 37.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.23 0.538 . . . . 0.0 109.864 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -67.68 -19.5 65.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.465 0.65 . . . . 0.0 109.791 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.671 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 21.0 mmt -64.15 -19.01 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.212 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.76 -5.09 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.645 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.71 -26.25 59.69 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.687 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 p -103.23 162.41 13.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.65 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.402 ' N ' HD13 ' A' ' 143' ' ' LEU . 6.5 mp -83.2 153.81 24.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.918 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.47 116.56 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.063 0.459 . . . . 0.0 109.834 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -120.65 129.74 53.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.455 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 pttm . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -151.92 -169.02 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.476 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.3 -161.73 18.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.673 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 22.9 mt-30 -79.31 -73.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.946 0.373 . . . . 0.0 110.907 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 99.4 m-85 -102.31 99.74 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.511 -176.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.87 118.29 54.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.258 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.39 123.79 48.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.59 118.85 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.152 0.501 . . . . 0.0 110.032 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.135 -178.364 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -57.3 -53.05 62.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.09 -33.55 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 90' ' ' ASP . 7.2 mp -72.16 -45.56 59.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.65 99.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 43.6 t90 -71.14 -40.53 71.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.979 -177.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 69' ' ' TYR . 42.1 t -68.22 -47.44 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.502 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.81 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.36 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.568 -178.303 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.89 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.018 0.437 . . . . 0.0 110.517 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.48 -47.28 86.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.158 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.22 -9.34 58.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.388 . . . . 0.0 111.102 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 -4.16 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.49 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.78 14.99 51.21 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.9 159.24 18.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 57.7 t30 -92.93 133.7 35.85 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -144.69 149.55 35.82 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.493 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.92 131.46 13.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HB3' HG23 ' A' ' 57' ' ' VAL . 46.5 p90 -109.37 131.09 55.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.67 113.29 36.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.455 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.622 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.7 m-20 -79.85 102.18 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -18.89 60.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -173.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 26.8 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.787 0.327 . . . . 0.0 111.644 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -162.9 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 0.0 110.607 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 72.3 mtm -127.39 144.26 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.604 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.2 162.65 7.08 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.777 2.318 . . . . 0.0 112.591 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.7 tp -84.99 144.44 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 p -133.79 164.39 27.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.857 0.361 . . . . 0.0 110.605 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.97 -12.74 61.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.249 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.96 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.053 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -21.91 61.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.059 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.99 -12.63 61.85 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -81.08 -25.92 36.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.176 0.513 . . . . 0.0 110.823 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -89.02 144.46 26.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.259 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.66 -33.95 16.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.973 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 11.8 m-85 -105.9 105.85 16.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.078 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.57 135.11 50.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.869 0.366 . . . . 0.0 110.678 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.85 124.68 41.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.895 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.53 114.44 44.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.71 0.291 . . . . 0.0 110.723 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.622 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 14.5 t70 -90.07 121.69 32.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.71 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.426 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 47.2 mt-30 62.83 57.3 1.74 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.545 0.528 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 122' ' ' SER . 12.0 p -57.43 -23.52 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.358 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.54 ' HB2' HD22 ' A' ' 129' ' ' LEU . 32.7 tt0 -60.0 -24.94 64.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 111.515 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 mppt? -89.2 19.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.129 -173.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.39 151.4 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 173.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -128.72 5.73 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.29 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -89.19 -71.0 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.422 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.32 -33.89 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 -174.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 99' ' ' GLU . 1.5 mp0 -60.78 -37.96 83.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.499 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.513 ' HG3' HD22 ' A' ' 135' ' ' LEU . 10.0 tt0 -66.85 -43.53 83.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 0.0 110.569 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.89 -48.41 74.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.393 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.23 -46.34 75.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.26 -42.11 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.0 m -62.5 -37.92 87.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.904 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.73 -47.86 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 110.173 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.76 -48.45 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.232 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 28.2 t-20 -61.26 -37.99 85.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.21 -50.52 67.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.288 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.88 -42.99 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.536 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -65.37 -25.98 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.813 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -64.23 -50.39 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.249 0.547 . . . . 0.0 110.328 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -79.52 -38.95 33.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.392 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.39 -7.75 30.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.056 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 34.9 tttt -102.9 -165.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.406 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 102.61 132.26 7.61 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.963 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.1 m-85 -117.52 119.98 36.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.727 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.2 104.86 16.93 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.43 123.31 46.62 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.879 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -128.09 147.03 17.14 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.783 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.435 ' HB2' HG11 ' A' ' 92' ' ' VAL . 9.7 t -176.47 161.03 2.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.3 131.02 44.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 66.53 -164.06 0.23 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 111.776 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -89.56 157.55 46.78 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.898 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.36 -26.23 63.54 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.932 2.421 . . . . 0.0 112.33 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.49 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 35.6 mt-30 -81.79 -4.19 55.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.142 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.95 -9.97 15.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.849 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 93' ' ' GLU . 88.0 mt -75.5 146.82 40.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.339 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.67 90.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.318 0.58 . . . . 0.0 110.597 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.492 HD12 HD21 ' A' ' 135' ' ' LEU . 14.2 pt -144.72 -173.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.301 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -57.73 134.25 56.06 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.42 -32.37 73.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.657 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 1.8 t70 -58.52 -50.05 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.562 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 tp -63.73 -36.22 83.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 127' ' ' GLN . 41.0 ttm180 -56.54 -46.79 80.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.513 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' THR . . . . . 0.48 HG21 ' O ' ' A' ' 134' ' ' ASP . 13.8 t -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.66 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 16.0 mmt180 -71.59 -39.22 70.68 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-O 121.275 0.56 . . . . 0.0 109.613 173.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 88.2 mmm -62.2 -31.37 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.251 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.38 -5.57 45.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.047 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.622 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 36.9 m-85 -78.52 -12.0 59.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 34.0 m -90.13 174.35 7.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.072 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.99 162.75 17.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.307 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.0 t -130.63 116.16 34.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.488 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -108.26 144.23 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.37 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.558 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 121.141 0.495 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -134.23 -169.23 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -166.27 8.42 Favored Glycine 0 CA--C 1.522 0.49 0 O-C-N 123.424 0.453 . . . . 0.0 113.877 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.578 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 19.8 mt-30 -72.05 -72.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 120.735 0.302 . . . . 0.0 111.626 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -98.5 101.88 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.417 HD13 ' HE2' ' A' ' 145' ' ' TYR . 46.6 mm -122.22 129.12 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 -175.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' HB2' ' SG ' ' A' ' 142' ' ' CYS . 43.8 t80 -116.01 126.85 54.36 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG11 ' HB2' ' A' ' 145' ' ' TYR . 6.2 m -125.2 138.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.277 -176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 . . . . . 0 C--O 1.236 0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.355 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -73.44 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 111.267 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.48 -26.03 63.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' HB3' ' A' ' 88' ' ' ALA . 6.7 tp -54.69 -52.44 62.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.466 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.03 -40.67 62.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.68 82.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.283 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 52.1 t90 -64.04 -41.17 97.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.122 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 69' ' ' TYR . 54.5 t -67.93 -46.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.759 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.0 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.585 0.231 . . . . 0.0 111.289 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.2 -48.43 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.412 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . . . -66.11 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.535 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 67.1 mt -63.0 -42.77 99.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.04 -6.95 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.13 0.86 50.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.128 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.5 16.04 78.63 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.168 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -107.68 168.79 9.01 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 44.4 t30 -101.34 133.25 46.23 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.94 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.93 160.81 42.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.12 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.24 131.76 5.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' A' ' 57' ' ' VAL . 14.4 p90 -104.9 125.06 50.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 69.8 mt -124.16 118.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.623 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 4.5 p-10 -95.04 114.26 26.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.383 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -60.27 -18.33 48.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.999 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.89 72.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -127.89 -11.59 5.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.942 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 66.3 mtm -139.32 143.49 36.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.784 0.326 . . . . 0.0 111.579 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 86.9 Cg_endo -97.28 169.83 0.83 Allowed 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.301 2.667 . . . . 0.0 112.371 174.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.77 144.04 25.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -139.51 168.63 19.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.99 -24.26 62.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.229 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -25.77 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 110.483 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 -9.03 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.646 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.11 -16.97 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.253 0.549 . . . . 0.0 109.96 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.38 -23.0 64.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.24 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -75.04 139.32 42.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -86.02 -33.18 21.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.236 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.591 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 10.3 m-85 -112.02 108.84 18.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.336 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.7 mm? -103.14 131.12 50.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.046 0.45 . . . . 0.0 110.884 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . . . -119.53 116.22 25.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.536 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.47 122.7 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.0 111.504 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.835 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 22.4 t70 -98.42 126.75 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.708 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 46.4 mt-30 58.73 52.72 6.46 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.572 0.545 . . . . 0.0 111.77 176.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.9 p -58.35 -22.06 19.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.641 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.567 ' HG3' HD22 ' A' ' 129' ' ' LEU . 2.9 tm-20 -65.96 -25.72 67.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.397 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.708 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 23.9 mmmt -83.74 -2.15 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 111.464 -172.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 95.9 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 111.143 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.07 70.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.255 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 t30 69.41 -63.92 0.36 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.207 0.603 . . . . 0.0 112.481 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.5 -50.58 72.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.617 0.246 . . . . 0.0 111.497 -171.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.56 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.8 mp0 -59.89 -42.9 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.45 -25.8 57.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.047 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.23 78.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.287 0.565 . . . . 0.0 109.635 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -46.98 82.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.182 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.67 -44.78 73.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB2' HD12 ' A' ' 135' ' ' LEU . 77.8 t80 -52.14 -46.29 65.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 177.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 t -62.92 -44.98 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.86 -51.32 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.16 0.505 . . . . 0.0 110.445 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -62.97 -42.32 99.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -63.45 -50.07 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.123 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.41 -36.06 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -61.61 -50.55 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 111.08 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -28.11 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 0.0 110.651 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -75.13 -41.77 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.955 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 m -67.16 -43.11 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.68 -34.67 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.684 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -114.38 173.23 6.56 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.79 138.59 5.72 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.591 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 3.8 m-85 -120.99 140.0 52.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.758 0.313 . . . . 0.0 110.528 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.43 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.24 117.27 11.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 -179.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.4 tp -106.79 110.12 22.21 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.603 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.96 114.13 28.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -104.26 112.91 4.26 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.865 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.0 m -152.69 132.86 13.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.96 -27.98 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.44 ' CE2' HD21 ' A' ' 129' ' ' LEU . 10.0 p90 -122.76 171.23 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.917 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 127' ' ' GLN . 8.7 p -73.07 154.23 90.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -169.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 129' ' ' LEU . 20.7 Cg_exo -66.02 -24.36 52.76 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.236 2.624 . . . . 0.0 112.505 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.422 ' OE1' ' HB ' ' A' ' 125' ' ' THR . 23.7 mp0 -67.05 -24.55 66.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.626 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -99.72 5.13 45.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.567 HD22 ' HG3' ' A' ' 93' ' ' GLU . 85.9 mt -85.45 133.69 34.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.53 70.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.628 0.728 . . . . 0.0 109.733 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 pt -119.42 177.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.36 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -54.94 138.81 42.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.566 0.541 . . . . 0.0 110.403 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -33.51 71.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.83 0.348 . . . . 0.0 110.527 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.8 -28.36 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 104' ' ' PHE . 58.7 tp -81.28 -37.19 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.982 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -61.91 -38.62 89.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.334 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.6 p -64.57 -37.16 86.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.362 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . 0.444 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 28.5 mmt180 -69.69 -19.56 63.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.267 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -70.42 -19.6 62.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.52 9.81 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.787 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 36.3 m-85 -94.42 11.56 30.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.654 0.264 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 40' ' ' TYR . 28.6 p -116.68 -173.62 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mp -109.1 153.69 23.34 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.9 t -118.04 116.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.09 0.471 . . . . 0.0 110.756 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.434 ' HB2' HG11 ' A' ' 41' ' ' VAL . 89.4 m-85 -107.89 130.24 55.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.523 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.416 -177.396 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HB3' ' HZ1' ' A' ' 34' ' ' LYS . 1.1 ptpm? . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -143.6 -170.31 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.75 -161.78 16.7 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.699 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 40.8 mt-30 -78.52 -76.22 0.2 Allowed 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.5 97.71 7.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.023 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -118.56 123.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -110.6 109.13 19.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 14.2 m -89.4 122.04 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.588 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 7.4 p-90 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.491 -172.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 53' ' ' LEU . 10.6 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -56.89 -33.09 66.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.988 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.58 -25.91 61.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.08 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 50' ' ' SER . 7.1 mp -70.47 -44.03 68.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.85 -45.92 92.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.131 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.23 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.694 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -60.89 -41.39 95.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.644 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 70.5 t -64.4 -49.14 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.234 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.7 82.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.413 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.06 -43.65 98.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.94 68.47 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 79.5 mt -61.9 -47.83 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.6 -21.53 65.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.936 0.398 . . . . 0.0 111.201 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -14.83 60.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.71 20.69 33.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.085 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -102.54 -174.46 2.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 51.8 t30 -109.47 133.07 53.52 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -153.1 141.62 20.81 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.442 -175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.73 142.11 28.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.446 ' HB3' HG22 ' A' ' 57' ' ' VAL . 22.5 p90 -111.35 136.02 51.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.718 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.483 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 71.1 mt -132.99 128.13 56.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.411 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' HB2' ' NE2' ' A' ' 91' ' ' GLN . 3.5 p-10 -121.23 126.71 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.03 12.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.672 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 91' ' ' GLN . . . -114.36 20.17 15.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.241 0.543 . . . . 0.0 110.582 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -167.09 -33.12 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.935 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.483 ' HE1' ' HA ' ' A' ' 70' ' ' ILE . 76.2 mtm -128.27 144.58 52.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -84.83 170.1 10.16 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.98 2.453 . . . . 0.0 111.239 172.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 102' ' ' LEU . 38.3 tp -86.64 144.66 27.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 p -125.28 163.13 23.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.0 111.16 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.22 -12.92 59.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.505 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -24.86 66.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.797 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB3' HD21 ' A' ' 87' ' ' LEU . . . -59.48 -20.94 59.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.163 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.445 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 66.8 m-85 -74.6 -18.38 60.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.966 0.412 . . . . 0.0 110.973 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -89.59 -24.21 21.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 0.0 110.766 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.45 113.87 22.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.65 -42.72 98.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.448 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 42.8 m-85 -101.8 107.14 18.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.963 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 81' ' ' ALA . 35.9 tp -116.26 130.51 56.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.351 0.596 . . . . 0.0 110.972 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.7 117.44 28.92 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.137 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.33 118.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.937 0.399 . . . . 0.0 110.613 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.17 175.53 5.43 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.495 ' HG2' ' HB3' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 62.22 37.25 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.121 0.486 . . . . 0.0 111.02 -175.248 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.35 157.94 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.289 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 75.83 -14.49 0.78 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.456 0.702 . . . . 0.0 111.201 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -91.93 4.88 51.98 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 122.102 -0.374 . . . . 0.0 111.433 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.62 150.74 39.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.497 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.63 -79.04 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.167 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -148.86 -66.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.326 -174.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.21 -35.93 74.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.938 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.624 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -73.86 -32.28 63.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.301 . . . . 0.0 110.666 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.14 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.479 . . . . 0.0 110.104 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.495 ' HB3' HD22 ' A' ' 77' ' ' LEU . 1.1 tm? -66.27 -45.68 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.179 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.66 -44.71 73.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.59 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -56.5 -46.74 80.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 174.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.445 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.4 t -59.53 -36.41 76.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.422 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.51 -49.0 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.4 ' HE1' ' SG ' ' A' ' 142' ' ' CYS . 10.6 m-85 -61.03 -32.11 71.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.054 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.655 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 44.1 t30 -62.21 -59.32 5.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.696 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.0 -48.91 67.16 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.339 0.399 . . . . 0.0 111.31 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.21 -55.16 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.699 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.14 -18.26 53.51 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASN . . . . . 0.655 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 3.1 t-20 -63.82 -47.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 110.081 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -97.4 -4.54 38.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.49 37.85 94.17 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.415 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -132.57 174.82 9.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.26 162.36 36.73 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.661 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.3 m-85 -132.07 132.92 43.77 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 24.1 tp -135.3 136.39 41.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.456 0.646 . . . . 0.0 110.727 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.41 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.6 tp -128.65 118.98 23.84 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.551 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.52 149.08 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.16 -156.25 6.83 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.554 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 m 72.68 152.61 0.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.246 0.618 . . . . 0.0 112.137 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.08 -163.71 0.25 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.062 174.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 89.3 m-85 -98.57 -84.03 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 p -134.69 153.27 78.8 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.35 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . 0.436 ' HA ' HD12 ' A' ' 129' ' ' LEU . 31.3 Cg_exo -61.84 -16.69 50.81 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.166 2.577 . . . . 0.0 111.974 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.91 -18.91 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.144 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -129.12 12.9 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 126' ' ' PRO . 62.2 mt -77.29 159.29 29.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.424 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.9 t -87.04 66.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.792 0.806 . . . . 0.0 110.072 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 136' ' ' ARG . 14.4 pt -122.8 160.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.642 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -90.42 164.67 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.33 -46.52 83.18 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -168.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.12 -30.89 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.155 0.503 . . . . 0.0 111.029 -174.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 135' ' ' LEU . 5.8 tt -82.47 -36.98 26.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.317 0.58 . . . . 0.0 109.574 175.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HA ' HD11 ' A' ' 131' ' ' ILE . 16.7 ttt180 -59.66 -38.91 82.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.793 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.7 p -67.52 -36.4 80.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.337 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.01 -36.75 80.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 175.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.0 mmt -65.9 -25.07 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.203 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.82 -12.69 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -88.85 5.39 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . 0.4 ' SG ' ' HE1' ' A' ' 107' ' ' PHE . 79.9 m -106.67 142.35 36.46 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.631 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.29 154.37 35.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.44 116.51 52.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.814 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 43.6 m-85 -132.41 144.49 50.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 111.633 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.282 -178.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.52 -99.13 0.23 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 64.72 8.23 4.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 111.297 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -111.01 120.24 41.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.816 0.341 . . . . 0.0 110.335 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.562 ' HB2' ' HB2' ' A' ' 146' ' ' GLU . 11.9 p80 -148.07 124.11 10.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.87 123.71 22.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.783 0.325 . . . . 0.0 110.366 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -60.31 100.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.957 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -115.13 97.83 6.44 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.05 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m -76.28 90.71 3.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.09 0.471 . . . . 0.0 111.747 -173.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -144.43 -175.41 4.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.627 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.4 tpt 67.34 75.0 0.31 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.811 0.815 . . . . 0.0 110.26 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -115.3 14.23 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 54.1 m-85 -107.27 130.84 22.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.901 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 39.7 Cg_exo -60.67 -52.33 3.9 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.658 2.239 . . . . 0.0 112.234 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m 59.52 87.0 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.857 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.54 157.01 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -157.37 160.72 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.73 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 13.9 pttm -58.05 133.81 55.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.357 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.96 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 29.3 t80 -67.75 -60.03 2.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -174.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.96 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 1.3 pt? -133.02 43.46 2.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.151 1.38 . . . . 0.0 108.621 -7.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' H ' ' HD2' ' A' ' 19' ' ' PHE . . . -64.93 1.66 3.28 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-N 114.938 -1.028 . . . . 0.0 115.071 -169.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m 65.16 29.21 12.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.628 0.728 . . . . 0.0 110.81 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.29 167.72 20.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.303 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -90.05 11.71 19.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.072 0.939 . . . . 0.0 108.673 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 -17.35 54.28 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.0 mt-10 -58.49 -29.6 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.31 177.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 47.2 tp -72.89 -36.41 67.31 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.22 0.533 . . . . 0.0 110.164 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.93 -33.34 60.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.491 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.39 -26.14 64.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 93.8 t -75.51 -45.91 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.314 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.515 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 93.1 mt -54.28 102.31 0.06 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 31' ' ' LEU . 4.0 mpt_? -127.08 -164.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.978 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -99.32 169.99 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.445 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.49 -179.83 7.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -158.84 -164.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.651 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.15 164.68 6.14 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.44 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 48.1 tt0 -68.12 -55.35 12.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.119 -0.541 . . . . 0.0 111.56 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' HD2' ' A' ' 110' ' ' PHE . 75.5 m-85 -116.03 103.05 10.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.1 mm -123.31 131.25 73.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.323 0.583 . . . . 0.0 111.527 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 42.3 t80 -118.33 123.25 44.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.379 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.8 m -120.95 153.44 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.468 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.3 p-90 -143.71 112.88 6.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.1 -74.44 0.21 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.44 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HG2' HG12 ' A' ' 147' ' ' VAL . 3.3 mp0 -57.35 -24.86 57.83 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.481 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 25.0 tp10 -137.28 -50.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.137 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.94 72.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.95 23.85 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.195 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.31 33.45 8.71 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.884 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -119.23 -57.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' HA ' HD12 ' A' ' 53' ' ' LEU . 4.7 m 62.45 16.89 9.04 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 167.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.46 -33.94 71.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.009 -0.432 . . . . 0.0 110.707 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . 38.3 tp -73.26 -30.83 63.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.108 0.48 . . . . 0.0 109.736 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD12 ' HA ' ' A' ' 50' ' ' SER . 9.5 mp -66.66 -44.89 80.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.81 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.43 -38.42 89.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.452 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 30' ' ' VAL . . . -57.42 -48.76 78.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.503 0.668 . . . . 0.0 110.831 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.561 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 36.7 t90 -66.34 -38.77 88.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.787 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 69' ' ' TYR . 56.2 t -64.85 -44.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.562 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.49 87.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.807 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.448 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -64.85 -28.62 69.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.773 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.31 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.301 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.1 -36.41 77.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.219 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.32 -26.66 68.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.633 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.9 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 110.784 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.9 16.1 75.84 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.92 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -103.58 153.43 20.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.554 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 14.7 t-20 -81.26 133.88 35.51 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 -175.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -155.97 141.57 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.085 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 146.36 24.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 111.153 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.527 ' HB3' HG21 ' A' ' 57' ' ' VAL . 29.7 p90 -116.33 137.61 52.01 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.08 130.08 69.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.543 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 7.8 m-20 -79.53 105.19 10.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.86 3.18 2.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.893 0.377 . . . . 0.0 111.69 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.38 9.34 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.543 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 32.0 t -141.47 -29.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.332 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.5 mtm -132.1 144.26 52.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.329 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.32 160.52 15.09 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.414 2.076 . . . . 0.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 49.9 tp -91.24 144.85 25.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.804 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.2 p -131.54 164.89 24.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.471 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.03 -21.3 65.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.56 . . . . 0.0 110.406 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -24.06 64.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.359 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.15 -21.48 61.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.003 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 36.5 m-85 -69.14 -13.01 62.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.06 -28.98 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 110.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.554 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -83.9 138.67 33.06 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.986 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -91.9 -31.54 15.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.718 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.434 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.7 m-85 -109.31 113.17 25.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.014 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.694 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.8 mm? -114.45 136.05 53.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 111.21 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.44 125.34 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.053 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 53.7 t -124.86 114.87 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -107.27 150.7 26.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 66.57 32.4 7.26 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.457 0.473 . . . . 0.0 111.402 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.32 119.9 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.515 0.674 . . . . 0.0 110.318 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.525 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 9.0 pt-20 172.87 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.151 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.525 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 30.4 mmmt -88.77 14.5 10.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.936 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.75 133.61 56.26 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.34 -84.46 1.74 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.522 -0.846 . . . . 0.0 113.345 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -139.41 -72.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.295 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.55 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.662 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.16 -32.03 73.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.981 -178.749 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.527 ' HG3' HD21 ' A' ' 135' ' ' LEU . 25.9 tt0 -72.55 -42.25 64.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.162 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.46 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.236 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.436 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -61.06 -49.35 77.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.251 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.469 HD11 HD11 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -58.06 -45.0 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.016 177.332 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.56 -46.45 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.004 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.406 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.2 t -62.1 -37.44 85.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.331 178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.455 HD12 HD22 ' A' ' 103' ' ' LEU . 75.0 mt -58.6 -46.43 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.246 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -56.54 -43.44 79.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.584 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 58.6 t30 -63.44 -47.43 81.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.459 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -33.5 72.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.446 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.694 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 10.7 m-30 -69.13 -56.05 8.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -66.74 -33.87 76.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.198 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -66.62 -50.79 61.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -74.55 -29.19 61.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.676 -175.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.54 25.13 33.85 Favored Glycine 0 CA--C 1.507 -0.421 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -131.14 -164.03 1.39 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.856 -1.172 . . . . 0.0 109.341 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.522 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 91.37 125.41 3.33 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.908 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.561 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 81.2 m-85 -119.28 131.65 55.79 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.2 tp -139.04 141.3 38.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.486 0.66 . . . . 0.0 111.149 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.8 tp -141.36 116.3 9.84 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.351 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.527 HD22 ' HE1' ' A' ' 139' ' ' MET . 3.2 mp -121.41 148.3 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.749 0.309 . . . . 0.0 110.814 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -142.59 135.96 6.88 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.204 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 80.7 p -156.22 -167.85 2.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.87 -5.3 21.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -121.88 -88.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.79 -171.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.541 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 178.38 154.25 0.52 Allowed Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 123.035 0.534 . . . . 0.0 110.191 -178.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.514 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 54.8 Cg_endo -70.43 -28.57 21.86 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.4 2.067 . . . . 0.0 113.227 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -100.41 4.29 43.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.973 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -115.67 -16.49 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 125' ' ' THR . 73.1 mt -70.7 152.05 44.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.276 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.82 92.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.108 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.21 171.49 12.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.154 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.628 ' HB3' ' OD1' ' A' ' 134' ' ' ASP . 9.5 tpt180 -78.68 156.31 29.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.493 ' OE2' ' HG3' ' A' ' 132' ' ' ARG . 1.3 pm0 -68.5 -23.12 64.52 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.628 ' OD1' ' HB3' ' A' ' 132' ' ' ARG . 15.7 p-10 -69.74 -38.54 76.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.948 0.404 . . . . 0.0 110.194 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.527 HD21 ' HG3' ' A' ' 100' ' ' GLN . 28.8 tp -79.2 -40.03 31.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.85 -36.82 77.64 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.536 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.1 p -67.32 -32.28 73.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.48 -27.26 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.527 ' HE1' HD22 ' A' ' 120' ' ' LEU . 94.2 mmm -64.54 -18.51 64.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.49 -15.95 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.453 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -79.41 -11.66 59.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 80.1 m -94.87 139.19 31.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.04 154.84 29.13 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.61 114.7 47.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.063 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.35 122.45 39.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.486 0.66 . . . . 0.0 111.771 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 5' ' ' HIS . 47.8 mt-10 -110.88 132.95 53.77 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.205 172.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.627 HG12 ' HG2' ' A' ' 44' ' ' GLU . 9.7 p -87.04 5.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.869 0.842 . . . . 0.0 109.938 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -65.84 132.48 94.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.729 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo . . . . . 0 C--O 1.252 1.194 0 C-N-CA 123.145 2.564 . . . . 0.0 112.741 -177.219 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptm . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.503 0.192 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.38 137.98 4.25 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.053 -1.07 . . . . 0.0 112.839 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -151.26 98.5 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -95.98 158.45 15.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.013 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -153.4 130.04 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.115 0.483 . . . . 0.0 111.372 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -126.57 178.78 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.598 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -166.34 129.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.375 0.422 . . . . 0.0 110.389 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -101.22 95.54 6.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 m -117.64 103.77 10.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -146.42 96.58 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.822 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -131.68 120.06 22.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -146.53 114.9 6.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.279 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -81.22 144.22 53.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.11 127.54 15.25 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.618 2.212 . . . . 0.0 111.95 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -84.21 126.44 33.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -137.28 174.2 10.86 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 3.9 p-10 -147.68 141.37 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 35.0 ttmt 171.98 168.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.029 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 22.7 t80 -133.07 -67.39 0.63 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 170.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.029 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 67.5 mt -101.93 -4.45 26.14 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.389 1.476 . . . . 0.0 107.431 -23.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.21 118.04 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 113.477 -1.692 . . . . 0.0 109.09 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 m -63.68 118.25 8.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.572 0.701 . . . . 0.0 112.796 -168.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -153.82 103.97 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.673 -1.148 . . . . 0.0 109.054 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' HG23 ' A' ' 28' ' ' VAL . 14.1 t-20 -105.0 5.52 32.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.984 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.61 -35.48 54.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.647 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -65.05 -41.55 95.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.5 tp -76.31 -37.26 57.67 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 24' ' ' ASN . 69.7 t -54.98 -37.81 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.898 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.68 -37.83 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.149 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -74.35 -37.13 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.842 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 95.6 mt -56.91 105.44 0.22 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.161 -176.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HD2' ' O ' ' A' ' 31' ' ' LEU . 3.6 mpt_? -139.64 89.89 2.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.6 m80 67.63 174.97 0.26 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.035 176.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -122.12 -175.24 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.913 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.445 ' HD2' ' HB2' ' A' ' 56' ' ' TRP . 82.9 m-70 -137.15 177.29 7.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.86 -164.44 20.2 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.855 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.594 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 41.2 tt0 -78.73 -76.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.696 0.284 . . . . 0.0 110.89 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.49 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 74.4 m-85 -96.34 97.75 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.3 mm -123.81 118.96 55.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 46.3 t80 -110.5 113.81 26.74 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG11 ' HB2' ' A' ' 145' ' ' TYR . 22.5 m -108.4 132.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.321 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -113.7 122.21 46.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.531 0.681 . . . . 0.0 110.372 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.11 123.31 1.07 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.822 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.22 -36.89 85.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -175.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.54 ' HG2' ' H ' ' A' ' 46' ' ' GLY . 21.3 tt0 -168.37 174.02 7.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.54 ' H ' ' HG2' ' A' ' 45' ' ' GLU . . . 157.44 -85.88 0.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.687 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.88 4.25 34.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.025 0.441 . . . . 0.0 111.061 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 111.92 0.89 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.181 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.501 ' O ' HD12 ' A' ' 53' ' ' LEU . 64.5 mttt -59.47 -57.8 11.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.343 0.592 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -58.64 -35.65 72.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.961 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -63.91 -45.78 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.929 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.37 -29.58 67.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.067 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 49' ' ' LYS . 9.9 mp -73.86 -47.38 38.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.715 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.44 -37.06 85.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.774 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.488 ' HB2' ' H ' ' A' ' 32' ' ' ARG . . . -60.23 -40.91 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 110.389 176.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.445 ' HB2' ' HD2' ' A' ' 35' ' ' HIS . 52.8 t90 -65.74 -43.35 89.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.557 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.544 HG22 ' HB3' ' A' ' 69' ' ' TYR . 55.6 t -62.24 -47.83 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.356 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.13 79.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.201 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -61.76 -45.43 93.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.47 89.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.061 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.27 -48.95 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.212 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.49 -23.44 61.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.157 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.35 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.09 21.73 27.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.262 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.17 178.42 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB3' ' H ' ' A' ' 85' ' ' GLU . 16.4 t-20 -102.89 134.41 46.36 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HG11 ' A' ' 57' ' ' VAL . . . -153.71 135.28 14.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.984 0.421 . . . . 0.0 111.663 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.37 142.78 37.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HB3' HG22 ' A' ' 57' ' ' VAL . 32.7 p90 -116.65 132.14 56.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.789 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.8 mt -131.47 117.65 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.269 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.713 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 21.0 p-10 -104.42 109.51 21.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.3 56.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.662 -170.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.14 -3.95 50.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.453 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 42.4 t -133.33 -30.4 1.31 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 63.8 mtm -133.81 144.06 50.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.59 163.13 16.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.629 2.219 . . . . 0.0 112.046 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 tp -79.91 143.56 34.14 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.2 p -132.83 157.65 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.05 -12.37 60.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.13 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -25.87 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.777 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -61.53 -17.39 54.56 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.822 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -62.84 -24.2 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.07 -32.29 56.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.53 120.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' O ' ' HA2' ' A' ' 116' ' ' GLY . 11.8 pt-20 -73.29 -39.93 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.951 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.443 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 36.6 m-85 -86.36 109.98 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD22 ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -121.75 121.06 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.064 0.459 . . . . 0.0 110.624 -177.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.82 120.37 41.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.439 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.31 120.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.898 0.38 . . . . 0.0 110.813 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.713 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.9 t70 -93.02 127.13 38.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 62.75 65.5 0.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.428 0.632 . . . . 0.0 111.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 120' ' ' LEU . 24.7 t -65.44 -32.74 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.958 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.421 ' HG3' ' HZ2' ' A' ' 94' ' ' LYS . 11.0 pt-20 -67.92 -10.32 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.607 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' HZ2' ' HG3' ' A' ' 93' ' ' GLU . 0.1 OUTLIER -88.36 -2.48 58.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.695 179.322 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD23 ' HB3' ' A' ' 99' ' ' GLU . 89.3 mt -82.42 135.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.3 -110.62 2.04 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.894 -175.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -95.17 -67.44 0.85 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -170.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.33 -36.3 82.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.02 0.438 . . . . 0.0 110.809 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.441 ' HB3' HD23 ' A' ' 95' ' ' LEU . 2.4 mp0 -60.62 -41.11 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.594 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.552 ' HG3' HD23 ' A' ' 135' ' ' LEU . 7.4 tt0 -66.3 -41.63 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.79 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.21 -49.71 70.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.939 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 106' ' ' ILE . 51.2 tp -56.67 -38.24 71.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.225 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.91 -46.25 82.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.633 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -32.04 73.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.472 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 103' ' ' LEU . 70.0 mt -60.58 -49.76 83.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.429 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -59.47 -38.41 80.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.58 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.207 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -43.53 96.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 110.917 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.471 ' HD2' HD21 ' A' ' 118' ' ' LEU . 16.5 m-30 -64.15 -41.68 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.0 111.386 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.598 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -76.69 -45.2 30.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.032 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -76.97 -43.97 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.357 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.11 -28.88 6.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mtmt -89.33 -166.53 1.62 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.706 -0.747 . . . . 0.0 110.353 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 85' ' ' GLU . . . 104.3 119.49 4.62 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 119.89 -1.147 . . . . 0.0 112.613 -177.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.594 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 7.1 m-85 -123.01 118.62 28.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 110' ' ' PHE . 4.0 mm? -107.06 111.05 23.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -177.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 53' ' ' LEU . 54.0 tp -105.02 102.85 12.32 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 92' ' ' VAL . 70.5 mt -108.49 111.72 23.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.47 -175.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.78 116.5 4.87 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.541 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 179.04 6.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.58 -48.8 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.065 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.6 -178.76 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.031 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.555 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 12.3 p -91.3 154.12 44.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.485 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 Cg_exo -67.87 -32.49 29.06 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.938 2.426 . . . . 0.0 112.838 -170.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -86.13 1.15 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.752 0.31 . . . . 0.0 110.759 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.38 -6.56 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.605 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 125' ' ' THR . 97.3 mt -94.92 158.12 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.226 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.44 86.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.12 172.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.119 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 132' ' ' ARG . 51.6 mtt-85 -83.9 155.48 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.302 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -54.79 -39.15 68.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.384 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.32 -44.53 80.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.875 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 100' ' ' GLN . 35.8 tp -79.93 -41.84 25.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.645 -178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -61.61 -37.13 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.529 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.7 p -69.34 -35.93 76.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.803 0.335 . . . . 0.0 111.284 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -75.89 -19.66 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 111.565 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.5 mmt -69.45 -21.11 63.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.972 0.415 . . . . 0.0 110.759 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.91 64.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.532 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -74.15 -20.62 60.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.49 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 81.0 m -92.27 132.46 36.67 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.394 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.21 154.15 41.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.238 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.08 116.49 52.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.868 0.366 . . . . 0.0 110.567 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.492 ' HB2' HG11 ' A' ' 41' ' ' VAL . 35.3 m-85 -113.93 121.84 45.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.265 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -93.13 122.56 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.33 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 50.5 tttm 179.33 112.51 0.19 Allowed Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.054 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 3.7 Cg_exo . . . . . 0 C--O 1.25 1.113 0 C-N-CA 123.1 2.534 . . . . 0.0 111.949 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.258 0.552 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.95 74.75 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -131.15 104.26 6.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.858 0.361 . . . . 0.0 110.983 -168.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -118.07 88.75 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.271 0.558 . . . . 0.0 109.9 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -100.43 83.93 2.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.701 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -135.46 80.92 1.86 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 178.7 144.57 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.834 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -166.34 131.48 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -94.68 156.56 16.35 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -125.91 -85.09 0.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.6 ttt 37.67 83.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.219 0.949 . . . . 0.0 112.717 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -130.35 138.09 50.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.079 0.466 . . . . 0.0 110.72 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -141.64 96.75 6.78 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.32 141.42 51.61 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.729 2.286 . . . . 0.0 111.66 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 p -85.12 99.38 11.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.862 0.363 . . . . 0.0 110.8 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -88.49 61.73 6.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.382 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -175.27 98.4 0.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.279 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -171.75 169.17 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.989 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 27.2 t80 -149.46 -70.07 0.2 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 173.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.989 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 14.9 mt -119.13 124.19 46.25 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.903 1.681 . . . . 0.0 108.453 -20.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.83 7.51 55.37 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.704 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.2 m -69.88 -59.32 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.94 0.4 . . . . 0.0 110.498 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.25 168.31 19.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -112.74 30.12 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.06 75.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.724 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 30' ' ' VAL . 44.7 mt-10 -61.53 -43.48 98.78 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.305 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.91 -42.0 90.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.287 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.96 -38.72 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.183 0.516 . . . . 0.0 110.496 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -70.27 -30.92 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.539 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 26' ' ' GLU . 39.1 t -64.94 -37.47 80.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.034 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.84 100.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.559 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.2 22.16 5.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.518 ' CG ' ' H ' ' A' ' 34' ' ' LYS . 6.0 t-80 69.17 -171.05 0.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.372 176.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' H ' ' CG ' ' A' ' 33' ' ' HIS . 89.6 mttt -106.09 -168.93 1.5 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.619 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -160.08 -174.49 4.58 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.853 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.18 -167.76 4.31 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.286 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.73 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.592 -0.357 . . . . 0.0 111.212 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -100.87 94.77 6.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.28 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.519 HD12 ' HB2' ' A' ' 143' ' ' LEU . 45.2 mm -126.23 124.22 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.018 0.437 . . . . 0.0 110.9 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -113.38 125.07 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.028 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.535 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 27.8 m -122.3 157.57 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -82.69 -85.98 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.9 0.381 . . . . 0.0 111.88 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.6 177.37 51.9 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.831 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 44.61 37.09 1.99 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.6 -63.1 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.24 -65.93 2.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.586 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.31 107.18 0.69 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.04 -135.65 1.86 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.771 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.638 ' HG2' ' H ' ' A' ' 50' ' ' SER . 83.2 tttt -170.5 -171.81 1.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.638 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 8.9 m -74.84 68.14 1.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.818 0.818 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.38 -45.65 90.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.962 -171.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.0 tp -76.07 -30.73 58.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.749 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.72 ' HG ' ' HG ' ' A' ' 119' ' ' LEU . 8.5 mp -64.86 -55.96 16.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 111.918 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.43 -39.25 93.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.213 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.07 95.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.885 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 41.9 t90 -60.36 -41.23 93.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 69' ' ' TYR . 60.5 t -59.08 -49.02 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 62' ' ' GLU . . . -61.67 -37.1 82.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.206 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.28 -41.9 99.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.637 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -36.47 82.34 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 93.7 mt -60.84 -36.59 79.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.83 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 58' ' ' ALA . 49.6 mt-10 -59.98 -35.3 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.583 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.42 5.74 11.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.32 19.35 71.99 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.06 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 86' ' ' TYR . 67.3 mmtt -99.08 157.54 16.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -91.97 133.86 35.32 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.911 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.23 149.3 24.25 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.637 -178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.06 129.55 17.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.956 0.407 . . . . 0.0 111.45 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.517 ' HB3' HG23 ' A' ' 57' ' ' VAL . 37.8 p90 -103.77 119.53 39.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.0 mt -106.94 114.85 47.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 49.1 t0 -85.94 107.96 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.041 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.0 -10.88 15.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.54 -3.52 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.4 t -134.69 -25.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.4 144.56 48.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.473 -176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.36 160.89 5.55 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.581 2.187 . . . . 0.0 111.835 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 99' ' ' GLU . 36.7 tp -79.27 142.56 36.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -145.27 -179.36 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 111.428 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.02 -17.7 63.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.136 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.02 57.35 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.42 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.97 67.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.689 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.2 m-85 -78.22 -13.64 59.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.286 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -89.02 -21.68 23.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.813 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.73 134.8 33.6 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.401 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' CD ' ' HZ1' ' A' ' 115' ' ' LYS . 12.3 tp10 -69.25 -44.79 71.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.778 173.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.71 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 69.7 m-85 -107.89 123.48 48.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.644 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.5 127.28 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.278 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.508 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -133.8 134.72 43.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.68 174.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.563 ' HB ' HG23 ' A' ' 92' ' ' VAL . 48.2 t -120.19 118.52 57.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.498 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -80.54 127.12 32.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.346 174.71 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.498 ' NE2' ' HB3' ' A' ' 90' ' ' ASP . 2.4 mp0 66.85 54.37 0.8 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.532 0.52 . . . . 0.0 111.05 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.563 HG23 ' HB ' ' A' ' 89' ' ' VAL . 47.4 t -57.57 -32.26 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.424 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.669 ' HB2' ' HA ' ' A' ' 123' ' ' GLU . 22.0 tt0 -60.98 -18.55 58.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.942 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 25.3 mmmt -99.55 10.63 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -170.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.5 152.47 34.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.299 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.57 -151.96 23.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.92 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -73.1 -52.44 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.16 -34.82 77.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.5 ' HG3' ' HB3' ' A' ' 77' ' ' LEU . 17.9 mp0 -59.76 -41.61 91.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.266 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -61.61 -46.2 90.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.49 94.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -68.77 -45.65 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.744 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -54.62 -45.89 73.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.052 175.743 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.451 ' HE1' ' HE ' ' A' ' 138' ' ' ARG . 43.5 t80 -56.08 -47.71 77.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.703 174.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.479 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 70.7 m -59.99 -30.92 69.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.523 HD11 HD21 ' A' ' 103' ' ' LEU . 76.1 mt -67.09 -44.4 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.451 174.587 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.73 -42.07 92.31 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.116 0.484 . . . . 0.0 110.1 173.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.497 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 7.6 t30 -61.18 -38.52 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.228 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.82 -45.05 91.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.452 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -62.42 -43.83 97.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 110.612 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -72.13 -32.7 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.425 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.4 OUTLIER -69.78 -37.35 76.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.32 -178.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -100.23 -37.41 8.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.054 -174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.59 59.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -170.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.511 ' HZ1' ' CD ' ' A' ' 85' ' ' GLU . 61.9 tttm -131.05 173.38 11.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -176.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.54 160.64 33.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.141 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.71 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 64.0 m-85 -134.54 150.39 50.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 37.0 tp -127.54 158.3 37.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.709 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.72 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 33.2 tp -156.2 117.39 3.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.013 174.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.9 mt -108.39 149.72 28.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.197 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.535 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -166.74 162.95 36.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.277 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.443 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 21.1 t 63.89 79.5 0.26 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.3 0.571 . . . . 0.0 111.228 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.669 ' HA ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 pt-20 -169.51 171.28 7.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.881 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 125' ' ' THR . 0.1 OUTLIER -73.87 -70.63 0.37 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.171 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.456 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -173.18 151.12 2.02 Favored Pre-proline 0 N--CA 1.465 0.275 0 C-N-CA 123.198 0.599 . . . . 0.0 109.608 172.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.08 -25.01 44.27 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.614 2.209 . . . . 0.0 112.468 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -93.44 -15.82 25.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.597 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -103.87 -24.23 13.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.108 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 125' ' ' THR . 83.6 mt -68.73 140.94 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 110.69 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.67 79.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.19 0.519 . . . . 0.0 109.723 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.4 pt -112.06 -179.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.349 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.557 ' HE ' ' HB3' ' A' ' 134' ' ' ASP . 46.5 ttp180 -65.42 134.59 53.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -54.31 -34.46 61.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.91 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.557 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 2.4 t70 -64.0 -35.67 81.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.038 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 tp -81.43 -31.42 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -62.74 -37.03 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -74.47 -30.6 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.338 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.528 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 38.9 mmt180 -69.3 -27.1 65.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.218 0.533 . . . . 0.0 110.235 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.0 mmt -73.7 -18.38 61.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.946 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.06 70.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.528 ' CE2' ' HA ' ' A' ' 138' ' ' ARG . 29.5 p90 -95.6 16.12 18.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.251 0.548 . . . . 0.0 111.197 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 42.4 t -103.57 123.96 47.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 172.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.519 ' HB2' HD12 ' A' ' 39' ' ' ILE . 6.9 mp -67.54 154.28 41.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.13 116.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.517 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 m-85 -123.37 117.43 25.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.277 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.41 115.73 24.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.435 ' CG2' ' HB ' ' A' ' 41' ' ' VAL . 39.4 t -71.73 88.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.089 0.471 . . . . 0.0 111.404 -173.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -179.0 92.61 0.21 Allowed Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.643 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 123.218 2.612 . . . . 0.0 112.524 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.29 91.4 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.213 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -76.07 97.46 4.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -96.47 151.24 19.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -143.89 142.7 30.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.39 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -80.02 160.93 25.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -106.19 159.69 15.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.206 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -59.36 150.37 26.44 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.743 0.652 . . . . 0.0 111.696 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.4 p -91.99 174.05 7.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.594 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.638 ' CE1' ' HB3' ' A' ' 12' ' ' ASP . 21.7 t-80 -119.73 -68.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.35 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.5 mtt 58.23 84.38 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.645 0.591 . . . . 0.0 111.477 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.638 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 8.5 p-10 -94.12 159.59 15.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.52 135.07 28.33 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.896 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.92 160.29 44.88 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.63 2.22 . . . . 0.0 111.758 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -122.25 100.55 7.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.488 . . . . 0.0 110.549 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -93.78 -172.68 2.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.963 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 66.8 74.73 0.33 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.518 0.675 . . . . 0.0 110.465 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.547 ' HD3' ' HG ' ' A' ' 20' ' ' LEU . 4.9 tppp? -167.0 121.35 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.685 -177.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CB ' ' HA ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -126.69 -56.73 1.37 Allowed 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.374 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.585 ' HA ' ' CB ' ' A' ' 19' ' ' PHE . 11.5 mt -107.84 -33.87 7.11 Favored 'General case' 0 C--N 1.344 0.349 0 C-N-CA 124.573 1.149 . . . . 0.0 110.414 -12.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.38 -84.01 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.169 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 p -84.39 147.29 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 50.41 86.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.947 0.899 . . . . 0.0 111.955 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -98.13 52.04 1.04 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.106 0.955 . . . . 0.0 108.642 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.13 67.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.506 -1.224 . . . . 0.0 111.867 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.09 -40.22 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -68.67 -35.71 77.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.183 177.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.25 -35.32 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.619 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.2 -29.39 70.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.313 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 79.4 t -66.83 -33.73 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.062 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 89.2 mt -62.09 173.25 1.16 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.649 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 97.8 mtt180 72.45 84.87 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.069 -174.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -55.02 136.92 47.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.191 -177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -94.8 175.45 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.537 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -110.78 167.56 10.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.654 0.264 . . . . 0.0 111.574 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.458 ' HA3' HG13 ' A' ' 39' ' ' ILE . . . 108.45 158.04 19.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.438 173.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 45.4 tt0 -114.82 -57.7 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.443 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 19.4 m-85 -108.04 96.84 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.029 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.458 HG13 ' HA3' ' A' ' 36' ' ' GLY . 47.0 mm -128.14 132.54 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 111.427 -174.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.662 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 54.8 t80 -111.23 128.7 56.01 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.036 172.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 145' ' ' TYR . 27.6 m -122.31 146.67 27.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.7 p-90 -136.46 -85.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.503 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 148' ' ' LYS . . . 66.48 -133.19 32.78 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.3 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 179.28 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 59.11 22.12 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.03 -56.48 5.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.889 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.51 88.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.591 0.356 . . . . 0.0 110.335 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.21 35.7 1.87 Allowed Glycine 0 CA--C 1.513 -0.078 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.646 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.667 ' HD2' ' OD1' ' A' ' 90' ' ' ASP . 26.4 pttt -61.94 -46.27 90.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.851 -0.674 . . . . 0.0 112.5 -173.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.573 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 7.9 p -94.95 15.58 18.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -167.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -63.75 -58.75 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.999 0.428 . . . . 0.0 110.651 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.99 -35.01 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.502 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 13.1 tp -58.11 -51.94 67.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.71 -45.11 62.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.518 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -59.4 -43.82 92.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 69' ' ' TYR . 68.1 t -69.04 -54.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.005 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HB1' HG12 ' A' ' 30' ' ' VAL . . . -62.11 -32.89 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.106 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.418 HE21 ' HB3' ' A' ' 59' ' ' GLN . 1.0 OUTLIER -64.5 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.944 177.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -35.05 73.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.774 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.22 -50.1 75.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.447 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.54 -6.92 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 -7.33 59.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.98 27.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.203 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -111.41 172.3 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 52.0 t30 -104.27 133.29 49.44 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -153.74 150.39 28.47 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.4 149.29 20.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.789 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.507 ' HB3' HG21 ' A' ' 57' ' ' VAL . 48.2 p90 -125.38 142.77 51.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.845 0.355 . . . . 0.0 110.255 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.508 HG13 HD11 ' A' ' 77' ' ' LEU . 38.4 mm -122.48 113.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.324 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 1.003 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.2 m-20 -89.08 94.47 9.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.466 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.475 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -66.29 -14.38 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.77 -8.03 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.688 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 m -135.47 -25.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.376 . . . . 0.0 111.919 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 76.3 mtm -134.13 151.93 77.43 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -172.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -81.93 160.8 18.51 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.576 2.184 . . . . 0.0 112.134 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.508 HD11 HG13 ' A' ' 70' ' ' ILE . 36.4 tp -91.22 144.32 25.74 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 p -135.26 174.27 10.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 111.367 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.2 -13.05 59.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.586 -174.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.01 58.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.433 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -27.79 63.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.491 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -72.98 -14.28 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.6 -29.38 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' HB2' HD21 ' A' ' 87' ' ' LEU . . . -88.31 128.93 35.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.547 -175.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.75 -32.92 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.25 0.548 . . . . 0.0 110.08 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.424 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 12.5 m-85 -106.64 93.41 4.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.299 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 110.334 -174.182 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' HB1' ' CD1' ' A' ' 53' ' ' LEU . . . -116.27 132.56 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.329 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.497 HG22 HD23 ' A' ' 103' ' ' LEU . 48.3 t -120.94 129.27 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 1.003 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 12.9 t70 -106.56 135.12 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 2.1 mp0 49.86 76.4 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.09 -18.85 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.527 0.679 . . . . 0.0 110.005 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.765 ' HB2' HD21 ' A' ' 129' ' ' LEU . 6.1 tm-20 -74.07 -25.15 59.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.229 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.484 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.6 mmmt -83.81 1.08 44.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 84.0 mt -84.5 149.08 26.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.39 -93.45 1.04 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.727 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -118.57 -70.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.43 -34.31 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.068 -173.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.572 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.7 mp0 -58.02 -42.22 84.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.925 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.23 -30.37 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.97 79.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.126 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.1 tm? -63.57 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.257 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.497 HD23 HG22 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -54.95 -47.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.058 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -57.69 -45.29 85.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.84 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -58.08 -37.2 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.588 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 102' ' ' LEU . 75.3 mt -59.03 -50.4 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.347 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.12 -43.64 91.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -48.58 66.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.065 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.443 ' HB3' ' HZ ' ' A' ' 38' ' ' PHE . 2.3 m-85 -66.75 -35.12 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -70.59 -26.46 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.998 0.428 . . . . 0.0 110.305 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.95 -44.26 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.491 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -78.68 -43.17 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.634 0.254 . . . . 0.0 110.694 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.38 -31.61 7.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.348 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 67.7 tttt -97.03 172.55 7.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.446 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 117.89 137.91 5.88 Favored Glycine 0 C--N 1.313 -0.7 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.308 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 19.6 m-85 -109.28 131.54 54.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.78 0.324 . . . . 0.0 110.287 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.87 121.42 21.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.184 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.1 tp -115.21 105.68 13.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.398 176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.464 HD21 ' HE3' ' A' ' 139' ' ' MET . 4.8 mp -100.76 118.32 36.62 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.056 0.455 . . . . 0.0 110.011 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 90' ' ' ASP . . . -116.9 134.26 11.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.46 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 11.2 t -152.76 152.42 31.64 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -78.8 7.63 6.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.009 0.433 . . . . 0.0 110.889 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.483 ' HB2' HD22 ' A' ' 129' ' ' LEU . 52.5 m-85 -139.67 174.73 10.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.623 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.571 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 82.3 p -88.45 155.51 51.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.662 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 Cg_endo -69.0 -15.57 40.04 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.49 -5.23 57.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.453 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 125' ' ' THR . 19.1 pt20 -120.03 2.54 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.746 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.765 HD21 ' HB2' ' A' ' 93' ' ' GLU . 81.7 mt -82.79 143.69 30.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.431 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.8 t -83.8 86.8 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.333 0.587 . . . . 0.0 109.686 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.619 ' HB ' HD21 ' A' ' 135' ' ' LEU . 17.8 pt -133.43 168.93 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.446 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -64.49 148.68 50.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.84 -54.59 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 10.4 t70 -66.56 -38.82 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 110.152 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.619 HD21 ' HB ' ' A' ' 131' ' ' ILE . 41.1 tp -56.74 -48.8 76.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.245 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.496 ' HB2' HG13 ' A' ' 131' ' ' ILE . 74.6 ttt180 -60.01 -27.93 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.774 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.3 m -76.32 -36.44 58.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.686 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 27.1 mmt180 -70.99 -18.89 62.59 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.709 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.464 ' HE3' HD21 ' A' ' 120' ' ' LEU . 92.4 mmm -64.16 -18.7 64.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.911 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.05 4.79 21.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -94.13 5.27 52.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 28.3 p -124.71 146.13 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.02 0.438 . . . . 0.0 109.976 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.424 ' HB2' HD11 ' A' ' 39' ' ' ILE . 6.1 mp -80.15 154.62 27.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.081 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 119.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.165 0.507 . . . . 0.0 110.887 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.416 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.0 m-30 -97.87 118.81 35.27 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.235 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -93.94 113.81 25.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.582 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.483 HG12 ' HG3' ' A' ' 148' ' ' LYS . 43.3 t -87.4 -66.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.054 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.483 ' HG3' HG12 ' A' ' 147' ' ' VAL . 99.1 mttt -138.86 116.6 8.99 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.032 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 13.3 Cg_endo . . . . . 0 C--O 1.248 0.996 0 C-N-CA 122.987 2.458 . . . . 0.0 111.799 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.84 0.352 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.8 35.08 84.51 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.495 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.73 122.13 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -129.47 145.9 51.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.464 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -156.01 142.5 18.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -149.25 137.36 20.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -175.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -122.81 92.51 3.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.418 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -142.55 90.47 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -109.55 -82.97 0.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.614 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -146.3 128.53 15.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.058 0.456 . . . . 0.0 111.177 -174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -107.37 104.13 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -92.38 141.74 28.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.271 0.558 . . . . 0.0 111.094 -173.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -140.96 97.84 6.99 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.239 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.92 147.68 91.95 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.634 2.223 . . . . 0.0 111.876 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 m -69.0 106.01 2.61 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.83 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -76.66 170.0 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.899 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.07 123.82 19.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.12 0.486 . . . . 0.0 110.845 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -83.48 156.83 22.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.276 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.074 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 96.0 m-85 -124.13 -65.82 1.03 Allowed 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.074 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 22.2 mt -109.71 168.93 9.05 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 125.35 1.46 . . . . 0.0 108.78 -19.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.37 -54.33 30.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.882 -175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -157.92 -174.26 4.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -132.99 126.09 31.19 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.954 0.406 . . . . 0.0 110.246 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -84.71 -2.63 57.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.452 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.65 -38.16 59.86 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.085 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 mt-10 -60.36 -41.97 94.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.607 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 tp -71.06 -30.03 66.07 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.3 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.78 -36.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.199 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -67.36 -36.49 81.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.262 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.675 HG12 ' HB1' ' A' ' 55' ' ' ALA . 97.3 t -69.61 -51.47 41.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.91 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 HD21 ' HB2' ' A' ' 55' ' ' ALA . 97.3 mt -73.95 107.55 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.752 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -104.36 -85.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -167.02 156.78 10.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.15 0.58 . . . . 0.0 109.901 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -78.25 173.57 12.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.206 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -148.89 -163.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.919 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.22 -164.04 4.66 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.484 -0.389 . . . . 0.0 113.5 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -84.33 -58.86 2.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.561 0.219 . . . . 0.0 111.553 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -100.05 92.12 5.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.034 0.445 . . . . 0.0 109.96 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.432 ' O ' HD12 ' A' ' 119' ' ' LEU . 49.3 mm -121.78 125.16 72.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.926 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.679 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 28.7 t80 -105.73 126.75 52.53 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.302 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.551 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 26.7 m -121.01 138.03 52.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -124.47 144.05 50.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 47' ' ' ALA . . . -116.3 146.97 18.91 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.471 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.57 103.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.716 0.303 . . . . 0.0 110.951 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 43.56 31.78 0.47 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 111.89 -173.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.56 107.3 3.15 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.025 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' HB2' ' HA3' ' A' ' 43' ' ' GLY . . . -80.7 68.69 7.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.999 0.428 . . . . 0.0 111.096 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.52 0.63 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' A' ' 51' ' ' HIS . 12.9 ptpt -164.74 -174.12 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 122.758 0.423 . . . . 0.0 110.115 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.535 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 1.1 p -72.8 36.07 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.4 0.68 . . . . 0.0 112.588 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 49' ' ' LYS . 39.6 p-80 -63.07 -33.97 76.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.559 -176.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.53 -43.09 67.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 119' ' ' LEU . 8.3 mp -69.61 -37.15 76.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.681 -178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.675 ' HB1' HG12 ' A' ' 30' ' ' VAL . . . -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.502 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 77.8 t90 -63.62 -41.74 98.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.576 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.427 HG21 ' O ' ' A' ' 53' ' ' LEU . 75.1 t -63.86 -47.49 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.68 95.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.867 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -37.92 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.74 178.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.95 -39.96 61.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.01 -48.07 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.191 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.14 -14.04 62.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.202 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.44 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 17.17 39.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.238 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -117.88 174.45 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -102.61 134.55 45.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.1 0.476 . . . . 0.0 111.103 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 152.0 38.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.429 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' HB1' HD23 ' A' ' 87' ' ' LEU . . . -125.93 126.93 45.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.07 0.462 . . . . 0.0 111.497 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -99.97 113.64 26.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.536 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.5 139.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 111.189 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 7.7 m-20 -108.11 108.8 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.67 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.603 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -103.75 17.26 24.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 111.563 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 41.9 t -138.82 -38.33 0.51 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 109.768 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 65.5 mtm -129.96 142.95 47.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.503 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.73 154.58 34.59 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.281 1.987 . . . . 0.0 111.527 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD22 ' HB3' ' A' ' 102' ' ' LEU . 26.6 tp -77.01 142.3 39.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.3 p -134.73 172.79 12.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.16 0.505 . . . . 0.0 111.479 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.14 -15.54 63.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.035 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.02 64.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.123 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.86 66.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.92 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -79.07 -13.9 59.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 111.079 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.44 -25.97 30.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.196 0.522 . . . . 0.0 111.205 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 145.63 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -85.01 -25.25 27.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.274 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.502 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 14.6 m-85 -129.86 128.75 42.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.228 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 HD23 ' HB1' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -120.31 125.27 47.64 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.9 0.381 . . . . 0.0 111.923 -172.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.42 124.85 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -130.31 119.7 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.29 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.535 ' CB ' ' HB3' ' A' ' 50' ' ' SER . 4.1 t0 -104.59 175.1 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.603 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 36.3 mt-30 56.64 34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.397 0.679 . . . . 0.0 110.931 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 61.9 t -63.31 -12.96 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.641 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 123' ' ' GLU . 7.1 tp10 -61.74 -20.07 63.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.212 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 1.5 mppt? -112.33 30.35 7.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 39.8 mt -61.22 134.49 57.05 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.799 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.69 -102.45 2.42 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.877 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.11 -63.71 1.09 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.642 -0.328 . . . . 0.0 111.617 -174.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.55 -37.43 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.315 0.579 . . . . 0.0 110.742 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.41 -37.8 82.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.799 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.413 ' OE1' ' HB ' ' A' ' 131' ' ' ILE . 41.7 mt-30 -64.81 -43.55 92.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.03 92.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.535 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.39 -49.13 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.802 179.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.566 HD12 HD23 ' A' ' 135' ' ' LEU . 2.5 tm? -54.87 -45.21 74.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.713 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -52.86 -45.15 67.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.835 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 t -68.7 -41.12 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.94 -51.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.444 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -61.51 -42.87 99.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.766 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.54 -47.5 83.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.796 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.53 -40.67 85.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.533 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -66.76 -34.78 78.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.124 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 107' ' ' PHE . 33.0 mtm180 -72.78 -30.77 64.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.012 0.434 . . . . 0.0 111.244 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -77.34 -45.24 26.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.992 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -70.87 -35.71 72.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.58 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.76 -13.89 63.12 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 75.2 tttt -125.95 175.04 7.98 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 86' ' ' TYR . . . 130.73 -16.6 5.32 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.451 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 19.5 m-85 42.36 86.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.281 1.033 . . . . 0.0 112.615 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -95.13 123.77 38.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.543 0.687 . . . . 0.0 110.487 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.508 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.0 tp -118.99 115.78 25.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.472 HD13 ' HE2' ' A' ' 139' ' ' MET . 58.5 mt -116.57 141.05 48.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -173.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -140.29 143.27 13.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.669 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.1 p -150.24 -163.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.544 ' HG2' ' HG2' ' A' ' 93' ' ' GLU . 11.9 pt-20 -119.76 -23.22 6.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -170.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.475 ' O ' HG21 ' A' ' 125' ' ' THR . 28.2 m-85 -105.22 -85.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.894 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.475 HG21 ' O ' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -172.68 159.71 3.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.198 0.599 . . . . 0.0 109.734 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.679 ' HD3' ' CE2' ' A' ' 40' ' ' TYR . 37.0 Cg_endo -65.19 -27.53 56.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.59 2.193 . . . . 0.0 112.424 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.31 -5.12 59.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.112 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -104.93 -2.33 24.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.03 133.4 48.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.411 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.02 85.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.374 0.607 . . . . 0.0 109.856 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.413 ' HB ' ' OE1' ' A' ' 100' ' ' GLN . 30.9 pt -142.53 -174.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -56.26 130.72 45.62 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 110.701 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.3 pm0 -70.01 -29.88 67.06 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.983 -174.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 6.1 p-10 -73.5 -29.11 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.255 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 103' ' ' LEU . 5.6 tt -81.34 -41.3 22.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.68 -22.78 66.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.121 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 p -78.55 -28.91 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 32.5 mmt180 -72.28 -15.11 61.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.032 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.472 ' HE2' HD13 ' A' ' 120' ' ' LEU . 88.0 mmm -62.94 -17.33 61.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.67 4.24 8.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -87.43 12.39 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.16 159.83 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.408 ' N ' HD11 ' A' ' 143' ' ' LEU . 6.3 mp -81.93 154.72 25.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.95 114.98 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.506 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 36.7 m-85 -118.12 144.38 45.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.143 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -106.83 117.37 33.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.285 0.565 . . . . 0.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.457 HG22 ' HB ' ' A' ' 41' ' ' VAL . 46.9 t -98.93 98.33 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 154.91 48.33 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.215 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.565 2.177 . . . . 0.0 110.708 171.443 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.28 132.84 2.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.859 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -168.75 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.513 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -80.93 71.97 7.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.934 0.397 . . . . 0.0 110.756 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -80.83 74.65 7.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 111.57 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.76 100.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.588 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -169.25 132.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -67.26 103.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -123.39 147.02 47.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -84.96 108.91 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.51 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.696 ' HE1' ' HB2' ' A' ' 13' ' ' TYR . 26.4 ptm -72.05 145.81 48.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.324 0.583 . . . . 0.0 111.334 -175.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.29 -31.44 11.35 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.696 ' HB2' ' HE1' ' A' ' 11' ' ' MET . 46.2 t80 66.1 88.84 0.11 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.272 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.05 118.31 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.92 2.414 . . . . 0.0 111.065 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -89.06 92.72 9.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.86 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.21 139.51 39.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -98.99 172.51 7.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.913 ' HB2' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -118.07 142.12 47.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.666 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 65.2 t80 -173.24 81.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -174.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.913 HD13 ' HB2' ' A' ' 18' ' ' LYS . 68.4 mt 45.61 -154.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.373 1.869 . . . . 0.0 113.246 11.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.53 -97.86 0.14 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.767 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.0 t -100.71 146.08 27.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 0.0 110.246 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -165.62 134.48 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -177.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -111.89 8.52 20.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.759 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.19 -38.14 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.146 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.7 mp0 -60.61 -42.95 97.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.218 0.533 . . . . 0.0 111.294 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mm? -68.35 -33.81 74.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.588 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.73 -35.22 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -68.47 -27.16 65.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.208 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.37 -34.99 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 55.1 mt -64.34 106.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -97.59 -86.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.125 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -175.1 32.2 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.22 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.828 ' HG2' ' H ' ' A' ' 35' ' ' HIS . 80.3 tttt 61.96 -174.39 0.14 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.626 0.25 . . . . 0.0 111.201 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.828 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -169.2 -171.87 1.39 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.128 0.571 . . . . 0.0 109.782 174.395 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.55 177.38 17.47 Favored Glycine 0 C--N 1.333 0.378 0 O-C-N 123.562 0.539 . . . . 0.0 114.064 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.4 mt-30 -71.26 -76.38 0.11 Allowed 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -94.77 103.15 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.448 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 HG23 HG11 ' A' ' 41' ' ' VAL . 70.1 mt -135.52 132.95 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 111.243 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 42' ' ' TRP . 52.2 t80 -106.05 122.56 46.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.434 172.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 HG11 HG23 ' A' ' 39' ' ' ILE . 11.0 m -123.39 110.73 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.265 0.555 . . . . 0.0 111.459 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 9.7 p-90 -113.14 -45.23 3.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.582 ' HA3' ' O ' ' A' ' 46' ' ' GLY . . . 84.24 128.02 1.58 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.694 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.56 -41.57 88.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 0.0 111.148 -174.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE1' ' HE2' ' A' ' 148' ' ' LYS . 3.2 mp0 -97.7 13.45 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.247 174.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.582 ' O ' ' HA3' ' A' ' 43' ' ' GLY . . . 100.61 -134.97 11.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 75.0 -28.87 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 112.694 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.26 -19.39 78.66 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.459 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -55.62 102.94 0.08 Allowed 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.3 m 67.22 -65.72 0.22 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.658 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 41.0 p-80 -59.94 -30.56 69.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 tp -71.4 -29.43 64.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.897 0.38 . . . . 0.0 110.904 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.531 HD23 ' HB1' ' A' ' 88' ' ' ALA . 7.8 mp -73.73 -34.28 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.831 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.658 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 13.6 pt20 -62.92 -35.92 81.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.299 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.78 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.7 t90 -84.72 -41.38 16.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.226 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.535 HG23 ' HB3' ' A' ' 69' ' ' TYR . 61.9 t -69.55 -51.18 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.802 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.91 81.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.598 -174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -68.51 -42.02 79.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.38 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' ' 67' ' ' ALA . 24.2 mt -60.52 -50.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.381 178.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -78.05 -11.01 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.174 0.512 . . . . 0.0 111.159 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.93 -10.61 59.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.99 8.46 47.86 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.871 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -110.12 154.49 23.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 37.8 t30 -82.6 133.3 35.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.786 0.327 . . . . 0.0 110.216 -176.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . . . -151.96 148.36 27.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.66 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.535 ' HB3' HG23 ' A' ' 57' ' ' VAL . 47.7 p90 -119.06 139.6 51.47 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 78.8 mt -136.33 121.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.124 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.48 ' HB2' HE21 ' A' ' 91' ' ' GLN . 11.9 p-10 -106.76 109.79 21.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.843 0.83 . . . . 0.0 108.807 176.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.87 -32.46 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 113.981 -1.463 . . . . 0.0 114.227 -166.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.19 0.0 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.06 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.8 t -128.73 -28.58 2.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.097 0.475 . . . . 0.0 110.54 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.459 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 74.3 mtm -133.55 142.94 45.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.232 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.26 152.83 18.37 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 tp -88.04 143.4 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.348 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 p -135.11 160.13 39.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.907 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.476 ' O ' ' HD2' ' A' ' 82' ' ' PHE . 5.4 p-10 -73.2 -12.46 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.428 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.55 67.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.033 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.69 -22.52 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.143 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.476 ' HD2' ' O ' ' A' ' 79' ' ' ASP . 76.7 m-85 -68.36 -13.13 62.06 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.03 -23.85 48.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.365 0.602 . . . . 0.0 111.125 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -91.05 148.51 22.34 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.539 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -92.65 -27.69 17.14 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.392 0.615 . . . . 0.0 109.784 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 8.3 m-85 -111.5 108.81 18.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.157 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD22 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -115.55 124.99 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 0.0 110.965 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.531 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -114.5 109.36 18.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.885 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -111.85 117.67 55.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.124 0.487 . . . . 0.0 110.432 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -101.51 154.52 18.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.48 HE21 ' HB2' ' A' ' 71' ' ' ASP . 15.7 pt20 44.31 60.3 2.87 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.233 0.958 . . . . 0.0 112.359 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.874 HG21 HD23 ' A' ' 120' ' ' LEU . 43.0 t -67.17 -25.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.682 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.931 ' HB3' HD21 ' A' ' 129' ' ' LEU . 8.4 pt-20 -65.9 -10.63 40.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.67 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.442 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 58.8 mmtt -112.05 11.5 20.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.589 -175.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.63 142.87 57.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.592 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.24 69.3 2.6 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.285 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.423 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 13.8 t30 59.1 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.423 ' OE2' ' HB3' ' A' ' 97' ' ' ASN . 2.6 mp0 -55.37 -37.5 67.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.24 -28.21 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.922 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.27 -37.31 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.759 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.59 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.149 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.11 -47.41 80.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.08 -45.61 75.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.325 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.522 ' HA ' HD22 ' A' ' 135' ' ' LEU . 61.0 t80 -55.39 -45.7 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 m -59.45 -37.12 77.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.091 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.36 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.569 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.73 -42.84 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.652 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 10.6 t30 -63.65 -41.63 98.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.31 -39.51 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.732 ' HZ ' HD22 ' A' ' 87' ' ' LEU . 15.8 m-30 -72.21 -55.0 7.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.354 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 111' ' ' ARG . 4.4 mmp_? -68.91 -18.71 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.561 -174.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.652 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -67.87 -40.98 83.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.953 -178.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 p -96.01 -33.64 12.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.61 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -89.43 -164.35 1.14 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.989 -0.606 . . . . 0.0 110.628 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.465 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 106.14 121.84 4.88 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.142 173.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.475 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 85.1 m-85 -111.99 112.53 24.23 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.727 HD21 ' HE2' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -130.03 123.93 31.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.308 0.575 . . . . 0.0 110.347 -172.113 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.1 tp -121.33 114.05 20.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.628 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 92' ' ' VAL . 97.4 mt -101.31 131.75 47.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.64 -106.41 1.49 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.405 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 71.22 -176.21 0.19 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.843 0.457 . . . . 0.0 110.759 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -114.82 -19.24 11.09 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -118.68 -87.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.515 -0.874 . . . . 0.0 113.059 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.725 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -159.0 152.57 19.07 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.757 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.413 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 36.9 Cg_endo -66.37 -36.33 27.77 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.444 2.096 . . . . 0.0 113.156 -172.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -91.53 -8.94 46.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.112 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -108.13 -2.71 19.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.931 HD21 ' HB3' ' A' ' 93' ' ' GLU . 74.2 mt -63.86 165.96 7.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.46 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.86 81.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.724 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.6 pt -135.16 168.38 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.383 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -92.18 171.27 9.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.233 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.91 -32.85 72.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.796 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 15.1 m-20 -56.87 -38.78 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.731 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' A' ' 104' ' ' PHE . 16.7 mt -82.1 -40.27 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -57.1 -36.0 70.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.9 p -70.47 -41.07 73.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 26.8 mmt180 -73.89 -24.46 59.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 25.1 mmt -65.7 -18.14 65.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 111.138 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.0 -2.85 32.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.441 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.39 11.8 38.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.1 p -122.57 154.08 38.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.0 110.085 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.03 154.02 22.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.65 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.11 116.69 52.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.097 0.475 . . . . 0.0 109.757 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -113.18 118.95 36.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.742 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -90.57 113.16 25.1 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.508 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 51.4 t -103.68 122.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.763 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.502 ' HE2' ' OE1' ' A' ' 45' ' ' GLU . 15.6 ptpt -132.85 90.02 33.18 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.316 0.579 . . . . 0.0 110.248 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.411 ' HD3' HG12 ' A' ' 147' ' ' VAL . 61.4 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.89 2.393 . . . . 0.0 112.519 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.46 100.91 2.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.503 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -80.97 87.87 5.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -109.33 114.93 29.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 109.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -166.48 113.04 0.84 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -156.74 124.88 5.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -153.92 134.25 13.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.648 0.261 . . . . 0.0 110.478 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.21 104.21 3.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.074 0.464 . . . . 0.0 110.01 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -144.28 89.72 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.23 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -170.92 82.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.75 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 24.8 ptt? -178.94 111.04 0.05 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.278 173.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' MET . 28.6 t70 178.4 99.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.286 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -131.91 81.3 63.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.895 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -94.22 119.34 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.32 2.68 . . . . 0.0 110.98 170.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.5 t -130.29 92.7 3.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.176 0.512 . . . . 0.0 111.307 -175.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -167.81 115.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.998 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' A' ' 18' ' ' LYS . 5.4 p-10 -83.66 -91.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.375 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 17' ' ' ASP . 80.1 mttt -152.64 140.18 19.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.21 0.529 . . . . 0.0 111.361 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.02 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 30.8 m-85 -137.81 162.18 34.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.801 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.02 ' HG ' ' HB3' ' A' ' 19' ' ' PHE . 2.8 mp -120.64 96.04 4.96 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.298 0.639 . . . . 0.0 109.629 -0.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.41 -95.92 0.2 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.781 -0.724 . . . . 0.0 111.903 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -176.5 152.75 1.08 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.816 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -136.45 118.66 15.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.204 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' O ' HG21 ' A' ' 28' ' ' VAL . 28.8 p-10 -105.72 -12.82 15.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.905 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.05 87.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 111.094 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.9 tp -73.08 -43.9 61.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 24' ' ' ASN . 57.7 t -65.44 -33.07 61.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.466 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.93 -38.6 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.114 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.19 -34.24 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.071 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.605 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 86.4 mt -60.38 107.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.605 ' HD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 mpt_? -127.57 -172.47 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.651 174.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -78.92 146.4 33.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.977 0.417 . . . . 0.0 110.894 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HB2' ' HZ2' ' A' ' 34' ' ' LYS . 3.6 ttmp? -71.84 167.38 20.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.742 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.511 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 87.6 m-70 -122.36 -169.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.794 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.49 -162.02 20.13 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.468 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 34.9 tt0 -82.71 -64.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.192 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -116.16 106.9 14.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.205 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.7 mt -137.28 137.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.992 0.425 . . . . 0.0 111.393 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.881 ' HH ' HD13 ' A' ' 129' ' ' LEU . 68.8 t80 -113.35 130.32 56.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.879 171.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.5 m -114.61 137.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.136 175.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 27.5 p-90 -118.12 6.97 12.08 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.04 83.4 0.13 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.684 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -88.14 88.29 7.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.427 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 30.1 mt-10 71.38 -52.86 0.69 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.093 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.53 -94.81 0.1 Allowed Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.12 78.14 1.38 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.13 -96.49 2.09 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.944 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 51' ' ' HIS . 32.1 tttm 174.47 109.38 0.02 OUTLIER 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.772 0.337 . . . . 0.0 111.367 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.524 ' HA ' HD11 ' A' ' 53' ' ' LEU . 0.9 OUTLIER 54.77 28.07 9.74 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 170.362 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.435 ' HD2' ' O ' ' A' ' 49' ' ' LYS . 17.0 m170 -63.04 -60.02 4.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.315 0.507 . . . . 0.0 111.284 -173.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.02 -24.91 47.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.008 0.433 . . . . 0.0 110.649 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 50' ' ' SER . 5.8 mp -69.98 -44.82 68.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.577 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.98 -36.56 82.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.96 97.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.511 ' HD1' ' H ' ' A' ' 35' ' ' HIS . 57.2 t90 -59.3 -45.03 92.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.414 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.537 HG21 ' HB3' ' A' ' 69' ' ' TYR . 76.0 t -65.69 -48.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.476 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.28 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.79 -38.99 90.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.099 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.75 87.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.809 0.338 . . . . 0.0 110.435 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.62 -49.18 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.378 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.03 -11.43 59.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.172 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.5 -1.97 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.3 8.68 64.16 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.385 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -106.71 161.72 14.41 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 58.4 t30 -89.39 133.77 34.37 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.08 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -148.79 155.78 41.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -177.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.06 138.37 17.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.537 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.7 p90 -108.97 130.38 55.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.65 113.64 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.215 0.531 . . . . 0.0 110.135 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.55 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 17.9 m-20 -97.21 110.29 22.87 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.45 -25.19 49.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.25 33.54 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.55 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 42.2 t -156.88 -39.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.862 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.5 mtm -137.88 143.95 42.1 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.188 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.39 156.57 14.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.343 2.028 . . . . 0.0 112.392 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -75.21 143.51 43.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.561 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.17 163.63 32.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -174.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.09 -21.3 62.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.023 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.33 -24.8 57.39 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.341 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.79 -25.35 66.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.01 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.66 -18.64 65.48 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.38 -18.45 36.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.184 0.516 . . . . 0.0 111.509 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -82.8 142.83 31.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.136 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -85.59 -35.1 21.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.73 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 10.9 m-85 -110.66 113.37 25.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.116 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.684 ' HB2' HD21 ' A' ' 118' ' ' LEU . 3.4 mm? -112.79 126.78 55.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.926 0.393 . . . . 0.0 111.275 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.68 124.23 42.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.04 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.24 114.81 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -91.62 132.12 36.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.75 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.696 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 45.7 mt-30 62.22 41.79 10.17 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.568 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.56 -23.72 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.811 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.585 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 1.2 pt-20 -67.35 -18.32 65.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.775 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.696 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 21.6 mmmt -79.52 -8.86 59.44 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.705 0.288 . . . . 0.0 111.224 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.667 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -71.11 141.12 50.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.48 -125.35 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.129 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -96.16 -53.34 3.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.048 0.451 . . . . 0.0 111.022 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.66 -36.34 83.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 3.1 mp0 -65.16 -42.36 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.72 -18.36 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.754 0.311 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.5 ' HA ' ' NH2' ' A' ' 132' ' ' ARG . . . -76.35 -42.03 46.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.642 173.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.8 -50.43 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.806 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.457 HD22 HD12 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -57.23 -46.06 83.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.768 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.02 -43.96 78.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 m -59.88 -36.23 76.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.943 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.457 HD12 HD22 ' A' ' 103' ' ' LEU . 61.9 mt -61.93 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.3 -48.06 81.7 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.623 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.6 t30 -59.62 -48.52 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -57.27 -48.56 78.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.952 0.406 . . . . 0.0 110.886 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 10.7 m-30 -67.22 -51.06 57.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.667 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.65 -27.8 65.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.106 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.623 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -66.57 -40.0 88.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.231 0.539 . . . . 0.0 110.719 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -93.46 -23.58 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.115 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.61 18.39 66.14 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -124.37 174.37 7.79 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -173.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.17 150.33 12.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.47 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 38.8 m-85 -122.4 138.94 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.684 HD21 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.89 124.47 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 0.0 110.715 -176.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.7 tp -121.44 116.39 24.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.47 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.511 ' HG ' HD12 ' A' ' 118' ' ' LEU . 77.5 mt -114.53 141.54 47.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -148.35 131.74 3.91 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.607 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 54.1 m -153.21 -87.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 122' ' ' SER . 15.1 pt-20 174.39 -171.4 0.05 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.203 0.315 . . . . 0.0 110.598 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.484 ' O ' HG23 ' A' ' 125' ' ' THR . 28.5 m-85 62.38 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.551 0.741 . . . . 0.0 111.556 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.2 OUTLIER 174.4 155.46 0.31 Allowed Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 124.367 1.067 . . . . 0.0 109.055 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.4 Cg_exo -59.19 -24.78 75.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.55 2.167 . . . . 0.0 112.732 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.72 3.39 47.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.071 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -109.28 -29.16 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.201 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.881 HD13 ' HH ' ' A' ' 40' ' ' TYR . 94.5 mt -56.23 134.82 53.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.539 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -87.89 86.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.176 0.512 . . . . 0.0 110.01 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.2 pt -136.99 176.33 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.953 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 101' ' ' ALA . 15.5 ttp180 -59.82 126.28 26.95 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 136' ' ' ARG . 10.8 pt-20 -62.3 -23.43 66.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.944 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.44 -30.93 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.231 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.416 ' O ' HD22 ' A' ' 135' ' ' LEU . 7.6 tt -83.39 -35.31 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.502 ' O ' ' HB2' ' A' ' 139' ' ' MET . 11.4 ttt180 -57.84 -37.98 74.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.248 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.6 p -67.01 -29.73 69.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.304 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.521 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 12.5 mmt180 -76.98 -16.94 59.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.033 0.444 . . . . 0.0 110.224 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.566 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 17.8 mmt -65.78 -23.6 66.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.623 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.46 -5.16 54.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.866 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 41.9 m-85 -94.06 6.42 48.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 63.7 m -115.48 147.28 40.81 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.909 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.19 155.57 40.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.1 115.81 49.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.51 162.6 24.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.635 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -156.07 159.04 38.76 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.087 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.408 HG12 ' H ' ' A' ' 45' ' ' GLU . 10.9 p -137.4 21.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 122.353 1.073 . . . . 0.0 108.927 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -94.67 161.3 29.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.901 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.426 2.084 . . . . 0.0 111.996 174.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.74 167.48 26.43 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.123 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.99 117.15 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.022 0.439 . . . . 0.0 111.557 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -140.89 86.92 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.89 70.51 7.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.153 0.501 . . . . 0.0 109.915 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -81.52 143.32 32.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.234 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -159.12 97.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.234 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -114.0 104.99 12.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -125.89 107.43 10.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 0.0 110.833 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -158.96 63.65 0.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -109.15 85.46 2.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.259 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.26 133.1 45.09 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.92 91.55 49.19 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.74 0.305 . . . . 0.0 111.442 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.44 116.67 4.8 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.768 2.312 . . . . 0.0 111.122 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -149.29 102.56 3.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -136.85 100.78 4.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.799 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -169.96 129.42 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -143.85 115.37 8.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.811 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 37.7 t80 -141.33 -59.59 0.49 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.811 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 46.7 mt -103.24 125.71 50.04 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.157 1.383 . . . . 0.0 108.346 -16.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' ' HB3' ' A' ' 19' ' ' PHE . . . -135.95 122.14 2.64 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.533 -171.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 86.9 m -159.49 -85.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 22' ' ' THR . 25.9 mt-10 -163.02 -179.1 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.748 HD21 HG23 ' A' ' 28' ' ' VAL . 5.6 t30 -109.45 21.15 17.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.317 -173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' HG21 ' A' ' 30' ' ' VAL . 43.9 mt-10 -64.91 -40.06 94.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.711 0.291 . . . . 0.0 111.048 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.8 tp -71.21 -39.22 71.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.748 HG23 HD21 ' A' ' 24' ' ' ASN . 91.8 t -67.15 -35.29 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.662 176.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -59.29 -32.3 69.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 87.6 t -75.21 -44.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.09 130.48 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.336 -175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' H ' ' HB3' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -130.39 -80.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -170.83 139.38 1.47 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 110.381 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -61.2 147.17 45.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.441 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 14.0 m80 -119.32 -165.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.669 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.0 -173.52 1.06 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.618 0.607 . . . . 0.0 114.618 -176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 51.7 tt0 -91.71 -45.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.429 -0.385 . . . . 0.0 111.124 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 76.9 m-85 -125.54 89.6 3.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.526 HD12 ' CE1' ' A' ' 145' ' ' TYR . 39.4 mm -117.94 129.67 73.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.971 0.415 . . . . 0.0 111.329 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 51.9 t80 -116.99 123.45 46.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG11 ' HB2' ' A' ' 145' ' ' TYR . 9.6 m -123.78 102.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.423 0.63 . . . . 0.0 111.049 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.588 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 65.0 p-90 -90.55 163.29 14.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.911 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.49 27.67 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.143 -1.027 . . . . 0.0 113.0 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -96.92 155.41 16.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.94 -42.32 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 111.347 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.61 -13.08 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.63 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.51 -41.32 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.93 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.11 -82.47 0.92 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.677 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt 71.13 136.2 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.419 0.688 . . . . 0.0 110.628 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -78.02 4.23 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.768 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -55.65 -47.41 76.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.997 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD12 ' CE1' ' A' ' 35' ' ' HIS . 54.8 tp -75.3 -27.83 59.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.007 0.432 . . . . 0.0 110.634 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 90' ' ' ASP . 24.1 tp -67.21 -42.12 84.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.948 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -72.26 -33.78 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.04 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' HB3' ' H ' ' A' ' 32' ' ' ARG . . . -61.5 -36.32 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.123 0.487 . . . . 0.0 110.871 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 52.0 t90 -66.31 -34.51 78.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.411 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.539 HG23 ' HB3' ' A' ' 69' ' ' TYR . 85.1 t -75.0 -48.98 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.35 85.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.513 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.79 -40.96 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.48 . . . . 0.0 110.025 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.92 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.653 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 81.6 mt -63.68 -47.96 79.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.627 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -77.46 -9.5 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.256 0.55 . . . . 0.0 110.783 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.25 60.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.152 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . 98.24 17.23 30.06 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.206 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 12.8 mptt -109.96 -176.25 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.085 0.469 . . . . 0.0 111.007 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.487 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 33.0 t-20 -101.01 133.26 45.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.158 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -156.48 147.08 21.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.04 17.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 52.0 p90 -115.63 137.71 51.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HE2' ' A' ' 75' ' ' MET . 73.2 mt -125.58 122.22 61.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.225 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 5.8 m-20 -88.21 106.45 18.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.43 -18.3 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -173.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.42 19.03 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.733 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 47.0 t -144.67 -36.0 0.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.439 ' HE2' ' HA ' ' A' ' 70' ' ' ILE . 68.0 mtm -130.69 144.87 55.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.624 -175.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.49 179.38 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.765 2.31 . . . . 0.0 112.59 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 99' ' ' GLU . 58.0 tp -99.51 144.45 28.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -127.1 155.92 42.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.065 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -26.23 67.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.988 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.52 59.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -24.14 60.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.155 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.94 -28.02 30.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.582 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -70.43 139.9 51.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.361 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.01 -25.42 18.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.276 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 35.6 m-85 -112.65 107.48 16.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.241 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 HD21 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -109.0 120.4 42.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 0.0 111.221 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -121.15 113.64 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.117 177.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.5 t -126.81 126.17 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.526 ' HB2' HD22 ' A' ' 53' ' ' LEU . 34.2 t0 -105.96 162.94 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.831 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 61.94 36.77 15.54 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.719 0.637 . . . . 0.0 111.491 172.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.8 p -67.71 119.14 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 8.5 pt-20 172.71 -32.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.461 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 31.3 mmmt -76.03 -9.95 59.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.688 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.32 132.0 48.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -88.92 1.79 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.878 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -131.48 -54.18 1.02 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.601 0.239 . . . . 0.0 111.135 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.43 -43.64 98.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.331 0.586 . . . . 0.0 110.249 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.446 ' HA ' HD21 ' A' ' 77' ' ' LEU . 1.8 mp0 -63.91 -40.79 97.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.945 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -69.23 -35.12 75.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.79 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.26 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.08 -49.25 70.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.499 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.492 ' HB3' HD12 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -56.12 -48.2 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.079 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -54.05 -44.15 70.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.728 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -62.61 -34.48 77.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.59 -42.37 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.428 ' CE2' HD13 ' A' ' 103' ' ' LEU . 31.5 m-85 -61.45 -41.13 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.687 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 12.2 t30 -64.86 -28.94 69.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.731 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -75.48 -57.3 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.466 ' HZ ' HD21 ' A' ' 87' ' ' LEU . 12.6 m-30 -62.38 -52.15 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.732 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.555 HH11 ' HG3' ' A' ' 111' ' ' ARG . 14.9 mmt85 -71.22 -17.71 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.663 -174.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.687 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.7 t-20 -60.06 -60.63 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.199 0.523 . . . . 0.0 110.711 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.7 t -97.6 -28.1 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.837 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.41 21.53 9.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.773 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -107.12 173.37 6.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 89.94 147.63 17.61 Favored Glycine 0 C--N 1.313 -0.725 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.163 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.497 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 38.1 m-85 -121.65 137.78 54.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.6 tp -138.22 140.51 39.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.36 0.6 . . . . 0.0 110.543 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.453 HD13 ' HB ' ' A' ' 39' ' ' ILE . 50.0 tp -143.95 114.8 7.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.579 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 80.4 mt -121.81 145.53 47.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.25 169.74 23.24 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.204 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.1 m 75.2 176.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.665 0.786 . . . . 0.0 112.131 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 13.9 mm-40 64.66 -164.01 0.25 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.926 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.416 ' H ' ' HB3' ' A' ' 123' ' ' GLU . 90.2 m-85 -107.75 -164.26 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.477 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.5 p -67.95 153.69 94.87 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.38 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.516 ' HA ' HD13 ' A' ' 129' ' ' LEU . 36.2 Cg_exo -59.43 -22.65 66.97 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.989 2.46 . . . . 0.0 112.333 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.42 -25.73 65.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.207 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.43 1.73 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.754 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' A' ' 126' ' ' PRO . 61.2 mt -73.58 133.79 43.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.876 0.37 . . . . 0.0 111.135 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.12 91.12 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.39 0.614 . . . . 0.0 110.156 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.478 HD13 HD21 ' A' ' 135' ' ' LEU . 21.0 pt -143.16 -174.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.168 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.611 ' HD2' ' OD2' ' A' ' 134' ' ' ASP . 4.7 tpp85 -54.38 123.16 12.11 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 171.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.84 -20.75 64.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.111 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.611 ' OD2' ' HD2' ' A' ' 132' ' ' ARG . 10.0 m-20 -69.24 -35.13 75.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.492 HD12 ' HB3' ' A' ' 103' ' ' LEU . 6.3 tt -82.35 -35.67 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.949 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -55.4 -38.23 68.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.065 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 3.1 p -70.6 -35.19 72.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.908 0.385 . . . . 0.0 111.16 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -68.92 -18.28 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.169 0.509 . . . . 0.0 110.537 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.444 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 87.0 mmm -77.65 -18.61 56.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.408 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.68 -0.24 54.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.985 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.503 ' HB2' ' NH1' ' A' ' 111' ' ' ARG . 85.4 m-85 -92.7 -2.93 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.15 173.93 6.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 110.966 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.83 153.87 21.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.112 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -129.61 118.58 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.269 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.526 ' CE1' HD12 ' A' ' 39' ' ' ILE . 18.6 m-85 -103.16 120.07 40.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.649 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.58 115.1 16.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.61 131.31 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.264 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 50.4 tptt 60.31 85.15 0.19 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.899 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 C--O 1.253 1.229 0 C-N-CA 122.946 2.431 . . . . 0.0 112.001 -178.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.94 0.4 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.44 50.11 0.35 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.571 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -84.1 108.84 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -141.24 178.26 7.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.144 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -132.64 90.62 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.275 1.036 . . . . 0.0 110.119 172.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -153.62 138.92 17.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.921 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -111.35 153.07 26.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -87.1 63.73 8.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.311 0.576 . . . . 0.0 109.568 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 m -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.453 0.644 . . . . 0.0 111.253 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.849 ' HB3' ' HB3' ' A' ' 76' ' ' PRO . 15.3 m80 -145.99 86.74 1.72 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 175.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.2 ttt -139.72 -65.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.11 94.49 7.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.256 0.55 . . . . 0.0 112.065 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -130.32 135.0 26.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.088 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.44 100.87 0.06 OUTLIER 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.872 2.381 . . . . 0.0 112.009 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -102.67 94.51 5.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.689 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -138.18 121.51 17.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.691 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.411 ' O ' HD22 ' A' ' 20' ' ' LEU . 7.2 p-10 -94.15 -15.3 24.77 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.095 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt 69.71 -65.14 0.32 Allowed 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.657 0.598 . . . . 0.0 110.525 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.134 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 55.0 t80 -167.53 -64.33 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 169.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.134 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 2.5 pt? -145.39 18.63 1.53 Allowed 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.528 1.531 . . . . 0.0 108.898 -17.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' C ' ' HG1' ' A' ' 22' ' ' THR . . . -58.3 98.05 0.09 OUTLIER Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.39 -0.823 . . . . 0.0 114.716 -168.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.411 ' HG1' ' C ' ' A' ' 21' ' ' GLY . 19.6 m -149.86 7.09 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.878 0.847 . . . . 0.0 109.414 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -126.27 99.18 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.221 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.485 ' O ' HG22 ' A' ' 28' ' ' VAL . 15.9 m120 -87.62 -2.65 58.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.051 -171.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.48 -47.92 66.24 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.492 ' O ' HG22 ' A' ' 30' ' ' VAL . 44.7 mt-10 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.134 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.42 -35.85 68.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.445 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 24' ' ' ASN . 57.4 t -69.53 -32.82 54.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.188 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.97 -24.86 62.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.284 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 26' ' ' GLU . 77.9 t -61.72 -57.38 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.382 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 ' HG2' ' A' ' 32' ' ' ARG . 2.1 pp 43.27 -157.74 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.152 0.908 . . . . 0.0 112.688 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.623 ' HG2' HD13 ' A' ' 31' ' ' LEU . 15.0 mmt180 65.56 -176.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.405 0.621 . . . . 0.0 112.443 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -141.23 171.14 14.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.491 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.647 ' HB2' ' CD1' ' A' ' 56' ' ' TRP . 19.3 pttm -90.0 177.8 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -152.88 115.12 4.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.34 -169.22 54.81 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.378 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.593 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.9 mt-30 -110.04 -58.97 1.99 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.047 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' HE1' ' CD2' ' A' ' 110' ' ' PHE . 75.2 m-85 -104.86 93.04 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 42.9 mm -119.21 126.15 75.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.998 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -109.11 124.22 50.45 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.63 135.6 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 0.0 111.464 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 4.4 p-90 -143.69 174.77 10.5 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.63 -113.19 2.07 Favored Glycine 0 CA--C 1.506 -0.509 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.563 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -146.49 -63.55 0.3 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.06 164.75 28.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.645 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.76 -95.97 2.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.405 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.6 -170.09 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.34 -134.03 8.22 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.521 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -163.35 87.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.331 0.586 . . . . 0.0 109.644 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.549 ' HA ' HD12 ' A' ' 53' ' ' LEU . 6.9 m -69.77 -13.08 62.1 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.116 -170.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -61.19 -36.34 79.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.439 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.498 HD21 HG12 ' A' ' 147' ' ' VAL . 3.9 pp -74.0 -26.66 60.56 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.637 -178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 50' ' ' SER . 8.9 mp -66.66 -39.83 88.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.187 0.518 . . . . 0.0 109.739 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.53 -45.43 94.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.501 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.28 98.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.384 0.611 . . . . 0.0 111.13 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.647 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 72.8 t90 -60.1 -39.35 85.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.528 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 69' ' ' TYR . 73.2 t -72.91 -45.76 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.029 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.2 91.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.227 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.502 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 61.0 tp60 -57.89 -44.97 87.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.196 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.25 97.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.27 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.1 mt -58.85 -42.6 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.055 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.83 -27.35 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.207 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.067 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.45 23.95 41.54 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.16 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -121.28 158.54 27.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.522 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 50.8 t30 -83.71 134.27 34.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -174.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.1 144.93 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.286 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.07 36.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.999 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HB2' HG22 ' A' ' 57' ' ' VAL . 89.6 t80 -104.98 107.74 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.27 125.56 73.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.178 0.514 . . . . 0.0 111.636 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.58 100.0 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 91' ' ' GLN . . . -60.17 -21.55 61.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -171.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 94' ' ' LYS . . . -88.17 -2.8 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -132.66 -23.73 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 111.158 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mtm -132.11 143.74 50.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.849 ' HB3' ' HB3' ' A' ' 10' ' ' HIS . 61.1 Cg_endo -82.06 152.85 16.56 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.34 2.027 . . . . 0.0 113.273 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.5 tp -82.17 143.63 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.09 158.87 43.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -177.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -63.91 -16.24 60.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.04 0.448 . . . . 0.0 110.623 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.33 -24.37 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.311 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.1 -23.8 49.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.227 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.38 -12.78 61.64 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.19 -22.87 51.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.282 0.563 . . . . 0.0 110.775 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -94.15 139.45 30.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.203 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -82.09 -33.19 29.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.154 174.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -106.32 115.99 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.678 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.612 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -113.22 116.95 30.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.91 117.49 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.61 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.08 123.87 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.34 141.86 34.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 2.8 mt-30 68.12 60.08 0.42 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 110.89 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.44 HG21 ' HB3' ' A' ' 120' ' ' LEU . 41.3 t -70.26 -22.94 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.684 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.66 -15.14 57.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.088 0.471 . . . . 0.0 111.12 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' HG3' ' HB3' ' A' ' 73' ' ' ALA . 29.7 mmmt -82.91 -1.0 51.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.4 144.03 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.412 . . . . 0.0 111.105 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.63 -76.01 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.455 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -157.29 -51.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.386 -0.479 . . . . 0.0 111.458 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.73 -34.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 109.803 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.1 -35.34 80.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.512 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -68.46 -38.55 81.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.57 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.329 0.585 . . . . 0.0 110.177 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.69 -51.6 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.444 177.284 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.51 HD23 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -57.22 -44.67 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -52.65 -45.37 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.104 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -66.16 -33.92 76.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.083 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.51 HD12 HD23 ' A' ' 103' ' ' LEU . 69.2 mt -61.84 -44.42 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.603 ' HZ ' ' HE2' ' A' ' 139' ' ' MET . 11.0 m-85 -58.95 -42.99 91.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.652 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 50.3 t30 -57.94 -48.22 80.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.136 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.58 -44.27 80.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.612 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.4 m-30 -61.57 -56.5 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 111.264 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -75.72 -18.43 59.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.159 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.652 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.3 t-20 -70.23 -49.69 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 0.0 110.359 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.3 m -84.39 -30.96 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.354 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 98.24 29.28 7.62 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -132.86 -164.15 1.44 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 114.573 -0.814 . . . . 0.0 109.745 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.421 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 101.45 127.42 6.09 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.195 -1.002 . . . . 0.0 113.682 173.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.593 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 57.7 m-85 -118.73 126.36 51.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.545 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 24.4 tp -133.16 141.13 47.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.144 0.497 . . . . 0.0 110.953 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.564 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 55.2 tp -145.32 103.09 3.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.328 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.44 ' HB3' HG21 ' A' ' 92' ' ' VAL . 89.5 mt -115.84 143.94 44.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.643 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.65 132.25 6.39 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.6 t -151.94 36.74 0.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.977 0.389 . . . . 0.0 110.459 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 53.85 -48.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.042 1.737 . . . . 0.0 115.075 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.8 -179.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 118.31 0.504 . . . . 0.0 110.357 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -89.15 161.19 41.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.115 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.36 -27.5 84.98 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.884 2.389 . . . . 0.0 112.545 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -94.29 4.56 53.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -106.39 -29.17 9.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 146.29 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.35 80.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.391 0.615 . . . . 0.0 109.801 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.3 pt -115.52 -176.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.523 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -67.16 131.92 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.407 ' HA ' ' HB3' ' A' ' 136' ' ' ARG . 14.9 tt0 -62.22 -20.45 64.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -173.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.35 -41.61 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.253 0.549 . . . . 0.0 110.417 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.05 -32.48 39.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.538 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.407 ' HB3' ' HA ' ' A' ' 133' ' ' GLU . 66.0 ttt-85 -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.48 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 t -67.91 -28.15 67.25 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.957 0.408 . . . . 0.0 110.758 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 138' ' ' ARG . 22.1 mmt180 -73.76 -28.86 61.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.384 176.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.603 ' HE2' ' HZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -61.98 -20.89 64.35 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.735 -178.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.96 -3.83 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.64 2.15 51.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.03 150.72 38.82 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.699 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.04 154.62 28.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.581 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.15 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.022 0.439 . . . . 0.0 110.291 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -117.04 126.91 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.841 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.8 115.53 28.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.498 HG12 HD21 ' A' ' 52' ' ' LEU . 7.2 p -131.24 141.5 45.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.721 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -123.86 151.11 64.1 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.306 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.99 2.46 . . . . 0.0 112.53 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.14 51.0 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.749 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -102.11 92.24 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -145.47 121.54 10.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.709 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -108.1 98.84 8.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -73.44 161.81 29.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 112.314 -171.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -122.29 149.0 44.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.074 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 p -160.93 102.82 1.3 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.802 0.334 . . . . 0.0 110.649 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -134.79 128.99 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -166.21 145.93 6.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.301 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -175.97 143.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.745 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -145.4 86.35 7.51 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.316 0.579 . . . . 0.0 110.508 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.27 107.07 2.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.949 2.433 . . . . 0.0 111.917 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -114.86 89.24 3.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.113 0.482 . . . . 0.0 110.137 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -134.99 121.7 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -167.26 107.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -83.75 168.07 16.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.524 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.746 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 1.1 t80 -177.57 82.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -170.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.746 ' C ' ' HA ' ' A' ' 19' ' ' PHE . 32.4 mt 19.68 89.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 128.761 2.825 . . . . 0.0 117.112 11.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.53 94.08 0.34 Allowed Glycine 0 C--O 1.224 -0.524 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.895 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -141.86 121.99 13.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 111.634 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -152.35 113.46 4.23 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.107 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.551 ' N ' HD21 ' A' ' 24' ' ' ASN . 0.8 OUTLIER -89.52 0.81 56.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.182 -172.74 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.57 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.443 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.1 mt-10 -52.72 -48.8 66.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.963 0.411 . . . . 0.0 110.731 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -35.84 81.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.162 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.24 -33.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.433 0.635 . . . . 0.0 110.571 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.07 -23.24 59.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.466 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 26' ' ' GLU . 47.4 t -76.14 -51.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 2.4 pt? -73.01 149.51 43.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 112.694 -166.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.828 ' HB2' ' HB3' ' A' ' 55' ' ' ALA . 8.2 mmt180 -127.33 -85.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.586 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.91 -164.74 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.185 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.615 ' HA ' ' HD1' ' A' ' 56' ' ' TRP . 17.2 ptpt -119.64 -171.46 2.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.56 -35.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.432 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -159.95 25.79 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.325 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 59.7 tt0 -98.89 -48.55 4.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.773 0.321 . . . . 0.0 110.657 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.553 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -123.42 92.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.416 HG21 HG11 ' A' ' 41' ' ' VAL . 50.4 mm -121.83 124.9 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.168 0.508 . . . . 0.0 111.32 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 41.8 t80 -108.04 115.03 29.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.031 172.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG12 ' HB2' ' A' ' 145' ' ' TYR . 3.0 m -123.88 102.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -86.13 118.24 25.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.345 0.593 . . . . 0.0 110.499 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.521 ' HA3' ' HB ' ' A' ' 147' ' ' VAL . . . 179.33 -168.95 39.89 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.498 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 60.17 -165.17 0.21 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.647 0.379 . . . . 0.0 111.201 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -167.31 -83.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.584 ' HA2' ' HB3' ' A' ' 49' ' ' LYS . . . -145.92 -158.06 7.56 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.087 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.24 -74.94 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.464 0.706 . . . . 0.0 110.445 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 51' ' ' HIS . . . -111.61 52.37 0.64 Allowed Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 172.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' HB3' ' HA2' ' A' ' 46' ' ' GLY . 14.7 ptmm? -61.84 151.29 34.83 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.467 -0.367 . . . . 0.0 111.818 -172.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m 63.05 34.08 14.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.644 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 48' ' ' GLY . 9.0 t-80 -68.89 -53.7 19.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.889 -173.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.6 -26.84 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.874 0.369 . . . . 0.0 110.485 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 119' ' ' LEU . 36.9 tp -66.99 -51.38 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HG3' HG11 ' A' ' 30' ' ' VAL . 11.0 pt20 -66.44 -33.94 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 110.571 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.828 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . . . -59.24 -30.38 68.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.701 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.615 ' HD1' ' HA ' ' A' ' 34' ' ' LYS . 70.8 t90 -79.97 -41.62 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.427 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 69' ' ' TYR . 46.3 t -59.87 -51.53 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.107 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -64.35 -30.15 71.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.974 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -64.51 -40.75 96.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 178.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.17 61.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 58' ' ' ALA . 88.2 mt -63.85 -49.11 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.168 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.78 -12.72 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.075 0.464 . . . . 0.0 111.089 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.521 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.18 60.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.292 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -95.82 179.53 5.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -105.53 133.26 50.57 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.15 141.85 27.89 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.544 -176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.83 129.88 30.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.605 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HB3' HG23 ' A' ' 57' ' ' VAL . 45.7 p90 -109.97 128.25 55.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.68 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.8 mt -125.79 127.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.193 0.52 . . . . 0.0 111.108 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -101.48 106.31 17.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.42 63.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.1 11.67 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.354 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -135.07 -37.87 0.79 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.3 0.572 . . . . 0.0 110.219 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.5 mtm -138.61 143.95 40.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.478 -176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.88 160.84 18.63 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.323 2.015 . . . . 0.0 111.66 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 102' ' ' LEU . 47.9 tp -73.41 142.8 46.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 p -130.14 160.25 34.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.37 0.605 . . . . 0.0 111.889 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.58 -22.62 66.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.303 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.0 65.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.494 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.27 -18.16 47.25 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.433 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 45.1 m-85 -75.67 -13.72 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.609 0.242 . . . . 0.0 111.547 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.65 -23.87 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.663 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.21 141.16 31.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -86.03 -37.29 19.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.417 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 9.1 m-85 -107.65 114.11 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.052 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.766 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -110.54 133.81 52.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.467 . . . . 0.0 111.273 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.4 113.44 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.7 t -111.02 127.51 68.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 19.0 t70 -106.77 126.08 51.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.693 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 43.6 mt-30 72.67 109.49 0.07 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.051 0.844 . . . . 0.0 111.562 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.1 -28.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.192 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.01 -26.64 68.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.693 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 22.7 mmmt -81.52 -8.6 59.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.889 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -74.36 134.56 42.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.39 -118.28 0.9 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.113 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -106.15 -55.18 2.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.832 0.316 . . . . 0.0 110.964 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.47 -42.55 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.799 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.477 ' HB3' HD23 ' A' ' 95' ' ' LEU . 2.0 mp0 -59.8 -42.46 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.145 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.65 -36.95 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.901 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.43 83.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.502 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.49 -49.03 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.327 177.2 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.676 HD12 HD13 ' A' ' 135' ' ' LEU . 0.6 OUTLIER -56.52 -44.92 81.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.17 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.3 -44.51 68.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.878 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.433 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 2.5 t -68.32 -32.42 72.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.261 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.427 HD11 HD23 ' A' ' 103' ' ' LEU . 72.4 mt -62.87 -45.56 98.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.34 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -59.93 -40.14 87.89 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.576 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.616 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 8.4 t30 -58.82 -47.79 83.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.758 177.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 109' ' ' ARG . 13.4 ttp180 -60.24 -46.72 88.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.674 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.766 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -65.85 -50.02 66.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.562 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -68.73 -35.28 76.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.731 0.3 . . . . 0.0 111.218 -175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.616 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 t-20 -71.64 -41.23 69.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.121 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.5 m -85.69 -22.38 27.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.63 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 19.07 79.1 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -134.84 174.61 10.39 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.411 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 93.02 152.33 29.06 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 67.9 m-85 -125.79 140.44 52.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.775 0.322 . . . . 0.0 110.629 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.7 tp -139.35 139.47 37.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.323 0.582 . . . . 0.0 110.396 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 53' ' ' LEU . 53.2 tp -134.52 123.64 24.24 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.221 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.1 mt -123.1 113.27 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.36 -54.1 2.92 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.5 m 65.53 -159.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.903 -0.649 . . . . 0.0 111.969 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.508 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -122.84 -32.49 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.124 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 85.2 m-85 -133.87 -87.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.622 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -163.34 153.87 13.73 Favored Pre-proline 0 N--CA 1.466 0.364 0 C-N-CA 122.297 0.239 . . . . 0.0 110.385 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.538 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 14.7 Cg_exo -67.67 -29.52 36.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.678 2.252 . . . . 0.0 112.632 -174.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.74 -15.98 27.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.681 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -102.76 -23.11 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.362 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 125' ' ' THR . 61.0 mt -60.61 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.015 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.8 77.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.72 0.771 . . . . 0.0 109.517 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.7 pt -119.22 -173.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.444 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -61.69 133.42 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.239 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.23 -24.77 60.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.499 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -73.14 -34.22 65.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.676 HD13 HD12 ' A' ' 103' ' ' LEU . 41.7 tp -83.02 -47.42 11.73 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -61.12 -23.32 65.43 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 p -75.66 -28.55 58.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.949 0.404 . . . . 0.0 110.973 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -77.74 -16.55 58.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.419 0.628 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 25.8 mmt -67.77 -18.73 64.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.692 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.54 -12.57 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.897 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -81.5 -1.14 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.958 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.71 151.78 25.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.33 154.55 27.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.591 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.86 123.55 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.85 0.357 . . . . 0.0 110.631 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.479 ' HB2' HG12 ' A' ' 41' ' ' VAL . 97.9 m-85 -126.36 136.22 52.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.716 175.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -83.76 130.24 34.94 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.521 ' HB ' ' HA3' ' A' ' 43' ' ' GLY . 48.8 t -111.25 92.84 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -151.26 87.4 4.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.18 2.587 . . . . 0.0 111.829 176.726 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.811 0.339 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.15 -175.87 38.41 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.332 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -129.1 143.21 50.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -132.49 131.68 41.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.4 m170 69.1 112.79 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.864 0.727 . . . . 0.0 111.519 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -146.59 152.23 38.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.351 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -139.97 165.01 28.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 111.188 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -137.98 114.0 9.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.369 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -116.72 139.41 50.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.644 0.259 . . . . 0.0 110.693 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -135.55 136.88 41.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.08 85.05 2.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.01 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -112.51 144.6 41.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.676 0.274 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.1 m-85 -75.57 114.72 38.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.243 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 37.2 Cg_exo -58.86 -37.51 93.37 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.044 2.496 . . . . 0.0 113.361 -175.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -138.81 152.38 47.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 179.84 80.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.024 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -165.39 106.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 19' ' ' PHE . 55.7 tttp -179.92 153.9 0.54 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.458 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.114 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 12.3 t80 -141.74 -68.32 0.38 Allowed 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.114 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 13.4 mt -132.17 104.7 6.92 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.824 2.05 . . . . 0.0 109.107 -20.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.15 -123.25 7.86 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.64 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 28.9 m 74.93 167.86 0.29 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.856 0.462 . . . . 0.0 110.295 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 22' ' ' THR . 39.0 mt-10 74.03 64.52 0.08 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.467 0.651 . . . . 0.0 109.76 -176.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -107.47 19.66 19.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.909 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -25.52 66.79 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.668 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 30' ' ' VAL . 39.0 mt-10 -62.62 -30.6 71.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.4 -34.7 61.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.107 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -62.56 -32.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.175 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.6 -38.0 88.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.622 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 26' ' ' GLU . 57.4 t -70.55 -45.56 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.143 -172.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 31' ' ' LEU . 4.3 mm? -65.83 -174.03 0.2 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -171.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 70.5 36.6 1.66 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.777 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -130.91 100.32 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.844 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.04 132.1 54.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.019 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.654 ' HE2' HD23 ' A' ' 119' ' ' LEU . 22.5 p80 -136.67 178.75 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 173.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 -170.48 4.67 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 123.444 0.465 . . . . 0.0 114.241 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.453 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 49.3 mt-30 -66.91 -85.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 97.2 m-85 -85.8 99.97 11.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.447 -175.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' A' ' 145' ' ' TYR . 45.8 mm -129.29 128.43 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -174.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.67 129.39 56.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.424 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 145' ' ' TYR . 30.4 m -121.81 145.4 28.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.647 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -81.15 -76.95 0.22 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.656 ' HA2' ' HB ' ' A' ' 147' ' ' VAL . . . 99.18 -174.48 27.48 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.606 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -49.58 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.605 0.24 . . . . 0.0 110.678 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 174.23 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.069 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.1 69.58 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.95 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.51 137.43 45.61 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 9.53 57.48 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.62 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttp 53.29 83.39 0.07 Allowed 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.747 0.819 . . . . 0.0 112.216 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m 57.34 24.54 10.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.584 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -54.88 -33.11 61.6 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -172.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 tp -76.11 -45.42 33.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.002 0.43 . . . . 0.0 110.961 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.45 -35.78 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.542 -175.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.98 89.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.604 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 49.8 t90 -74.19 -34.86 63.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.768 -175.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 69' ' ' TYR . 44.2 t -72.16 -44.87 64.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.203 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.03 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.614 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.95 -29.25 66.33 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.853 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.01 73.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 110.132 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.0 -44.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.681 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.16 -14.65 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.918 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.47 1.4 48.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.974 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.81 29.74 57.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.747 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -123.06 155.33 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.545 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 29.8 t-20 -80.82 133.67 35.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -154.95 142.86 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.31 138.14 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.521 ' HB3' HG22 ' A' ' 57' ' ' VAL . 13.1 p90 -114.26 132.04 56.28 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -128.37 120.14 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.09 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -98.82 113.32 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -69.18 6.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.472 -173.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.92 -18.14 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 t -134.06 -15.6 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.276 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 71.6 mtm -138.51 144.02 40.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.578 0.227 . . . . 0.0 110.765 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 23.2 Cg_endo -90.82 158.25 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.081 2.521 . . . . 0.0 112.139 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 102' ' ' LEU . 41.7 tp -79.25 144.03 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -130.01 166.63 19.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.936 0.398 . . . . 0.0 111.164 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -73.96 -17.97 60.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -25.24 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.486 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.94 -25.71 58.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.252 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -69.93 -12.73 61.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.8 -25.63 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 111.023 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -86.12 151.97 23.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.686 -172.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -90.71 -35.83 14.68 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.509 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 14.6 m-85 -107.91 113.73 27.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.581 HD21 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -118.67 121.94 41.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.74 119.8 33.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.417 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.0 t -111.04 114.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.163 0.506 . . . . 0.0 110.177 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -93.25 131.44 38.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.112 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.79 ' HA ' ' HB3' ' A' ' 122' ' ' SER . 1.9 mp0 61.85 78.51 0.29 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.728 0.411 . . . . 0.0 111.045 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.479 HG13 ' OG ' ' A' ' 122' ' ' SER . 14.5 p -79.1 -19.16 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 109.796 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.605 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 7.9 pt-20 -61.04 -19.22 61.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.379 176.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.605 ' HD3' ' HG3' ' A' ' 93' ' ' GLU . 7.8 mptt -93.92 7.75 43.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -174.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' ' 99' ' ' GLU . 77.1 mt -86.61 134.5 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.55 -87.63 1.68 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.292 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -105.88 -81.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.694 -172.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.13 -34.15 77.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.961 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.515 ' HB3' HD21 ' A' ' 95' ' ' LEU . 16.0 mp0 -65.8 -41.1 92.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.757 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 131' ' ' ILE . 22.7 tt0 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.13 -178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.86 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.499 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -67.0 -48.4 68.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.433 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -55.11 -45.88 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.45 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.74 -43.05 85.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.852 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.3 t -61.56 -38.14 86.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.353 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 102' ' ' LEU . 66.2 mt -59.26 -47.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.652 176.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -56.6 -45.39 81.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.788 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.681 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.9 t30 -60.59 -51.2 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.36 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -53.73 -45.91 70.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.545 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.581 ' HZ ' HD21 ' A' ' 87' ' ' LEU . 16.6 m-30 -73.59 -54.99 6.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.943 -176.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -65.49 -25.02 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.334 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.681 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.8 t-20 -75.2 -28.16 59.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 0.0 110.634 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 t -95.3 -43.76 7.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 -29.49 5.69 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -82.65 -165.05 0.95 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.979 -0.61 . . . . 0.0 110.601 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.439 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 96.87 128.76 5.96 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.604 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 56.6 m-85 -114.01 115.94 28.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 119' ' ' LEU . 0.5 OUTLIER -122.42 131.99 54.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.419 . . . . 0.0 110.225 -173.257 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.654 HD23 ' HE2' ' A' ' 35' ' ' HIS . 62.9 tp -134.34 120.95 20.53 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.714 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 98.9 mt -118.79 138.34 52.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -149.93 114.32 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.264 -0.97 . . . . 0.0 113.16 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.79 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 11.4 p 179.6 -171.15 0.15 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.264 0.625 . . . . 0.0 109.88 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 44.12 -163.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.335 1.022 . . . . 0.0 112.996 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -107.34 -33.52 7.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.53 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 1.1 p -158.34 155.33 25.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.46 -15.32 47.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -67.93 -21.44 65.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.501 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 125' ' ' THR . 3.2 pt20 -106.87 8.21 30.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.426 HD23 HG12 ' A' ' 92' ' ' VAL . 10.4 mt -71.61 137.32 47.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 29.5 t -95.44 77.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.188 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.455 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 31.8 pt -132.34 156.55 42.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.272 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 132' ' ' ARG . 2.5 tpm_? -62.92 145.27 55.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 24.3 mp0 -61.61 -28.02 69.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 -175.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 19.0 m-20 -70.62 -22.75 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.968 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.2 tt -82.35 -33.61 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -65.43 -33.95 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.722 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.0 p -69.06 -34.84 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.666 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 18.9 mmt180 -69.2 -27.84 65.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.82 -21.67 66.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.088 0.471 . . . . 0.0 111.138 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.72 -6.27 51.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.522 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.406 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 74.6 m-85 -92.6 8.56 38.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.422 . . . . 0.0 110.12 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 59.2 m -117.6 167.29 11.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.509 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.41 154.29 18.93 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 115.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.991 0.424 . . . . 0.0 110.206 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' A' ' 39' ' ' ILE . 2.8 m-85 -99.68 118.3 35.89 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.77 112.64 18.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.333 0.587 . . . . 0.0 110.656 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.656 ' HB ' ' HA2' ' A' ' 43' ' ' GLY . 44.4 t -95.33 100.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 148' ' ' LYS . 0.7 OUTLIER -73.53 147.74 87.38 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.131 -174.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 C--O 1.25 1.114 0 C-N-CA 122.249 1.966 . . . . 0.0 111.255 170.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.693 0.282 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.43 98.13 0.55 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.05 89.16 3.05 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -176.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -84.11 86.32 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -70.12 130.21 41.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.773 176.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -142.8 134.7 26.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -143.44 134.28 25.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.887 0.375 . . . . 0.0 111.076 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -136.17 150.69 49.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.479 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -112.46 122.43 47.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.412 . . . . 0.0 111.082 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -115.42 131.83 56.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.506 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 1.7 mpt? -59.75 121.78 12.54 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.433 0.458 . . . . 0.0 111.469 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -89.92 76.36 7.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 75.6 m-85 -130.17 87.36 51.35 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -73.12 -25.47 15.97 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.885 2.39 . . . . 0.0 113.003 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 m 62.95 87.86 0.1 Allowed 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.558 0.537 . . . . 0.0 110.22 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.424 ' CD1' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.58 151.74 23.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.075 0.464 . . . . 0.0 111.725 -174.303 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -95.43 -10.29 30.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.561 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HD3' ' CD1' ' A' ' 16' ' ' PHE . 12.4 mptt -74.75 -82.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -175.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.067 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 87.9 m-85 -135.35 -65.84 0.59 Allowed 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.067 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 6.9 mt -109.41 93.82 4.71 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.221 -18.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.57 -67.28 3.38 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.642 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -78.53 98.87 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.419 1.104 . . . . 0.0 111.927 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -169.57 101.96 0.33 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.458 -1.701 . . . . 0.0 108.164 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.578 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 93.9 m-20 -88.69 43.38 1.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 -168.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.11 71.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.471 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 39.9 mt-10 -67.43 -25.32 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.475 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' HB3' ' HB3' ' A' ' 24' ' ' ASN . 58.0 tp -71.63 -44.18 64.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 24' ' ' ASN . 70.9 t -62.03 -33.01 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.271 0.558 . . . . 0.0 110.148 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 69.9 t80 -57.6 -28.47 63.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.219 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.73 -37.97 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.778 0.323 . . . . 0.0 111.48 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.72 127.71 32.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.692 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -132.57 -80.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.674 176.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -171.45 150.69 2.88 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -149.48 140.83 23.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.435 0.16 . . . . 0.0 110.889 -179.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -166.43 123.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.983 0.513 . . . . 0.0 110.065 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.45 174.76 13.77 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.305 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -126.44 -38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.611 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -133.31 81.52 1.94 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.963 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.6 mt -131.47 133.32 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.502 0.668 . . . . 0.0 111.822 -174.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.406 ' N ' ' HG ' ' A' ' 142' ' ' CYS . 69.4 t80 -108.42 121.67 45.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.139 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 26.5 m -112.55 143.51 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.015 0.436 . . . . 0.0 110.511 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' A' ' 122' ' ' SER . 13.5 p-90 -134.75 153.24 52.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.79 178.28 15.48 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.488 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 6.4 tp10 -144.79 10.55 1.37 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.62 0.724 . . . . 0.0 109.243 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.674 ' HB2' HG23 ' A' ' 147' ' ' VAL . 1.9 mp0 -60.96 113.26 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.802 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.93 -2.44 33.67 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.75 87.0 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 145.32 70.3 0.02 OUTLIER Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.346 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -64.52 -36.86 85.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.215 0.531 . . . . 0.0 109.955 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -91.98 8.58 36.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.392 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -68.82 -51.31 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.861 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.57 -26.49 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.34 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -43.83 91.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.233 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.37 -37.06 82.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.507 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.68 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.5 . . . . 0.0 110.304 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.0 t90 -65.96 -41.89 90.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.529 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 69' ' ' TYR . 77.4 t -67.21 -46.0 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.073 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.98 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.929 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -66.31 -34.55 78.24 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.397 -177.338 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.72 77.82 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.918 0.39 . . . . 0.0 110.203 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 63.6 mt -60.01 -48.01 83.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.982 177.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.61 -16.31 62.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.12 0.91 50.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.755 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.68 9.18 81.71 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.263 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -99.14 159.94 14.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.56 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 18.4 t-20 -90.58 133.58 34.99 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -154.17 145.84 23.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 -176.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.65 139.47 21.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.864 0.364 . . . . 0.0 111.271 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' HB3' HG22 ' A' ' 57' ' ' VAL . 32.6 p90 -109.32 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.71 125.77 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.39 -173.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.06 109.76 22.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.27 60.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -172.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.82 -41.0 13.56 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -98.39 -27.38 14.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -125.7 144.56 48.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -82.49 153.63 15.81 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.563 2.176 . . . . 0.0 111.942 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 102' ' ' LEU . 27.7 tp -81.92 143.57 31.56 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 165.45 27.19 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.97 -172.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -66.24 -21.22 66.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.351 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.27 -25.12 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.735 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.87 -20.12 64.82 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.093 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -75.46 -14.51 60.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.92 -24.29 35.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.554 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -84.4 145.04 28.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.701 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -92.17 -33.2 14.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.306 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.411 ' HB2' ' HB1' ' A' ' 67' ' ' ALA . 12.7 m-85 -108.05 109.56 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.984 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.72 HD21 ' HZ ' ' A' ' 110' ' ' PHE . 3.6 mm? -110.37 123.78 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 0.0 111.352 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.26 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.845 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.39 118.41 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -102.46 136.08 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.834 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.467 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 45.0 mt-30 64.08 61.69 0.91 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.713 0.633 . . . . 0.0 111.486 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.36 -30.24 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.781 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.836 ' HB3' HD22 ' A' ' 129' ' ' LEU . 11.0 pt-20 -66.95 -19.17 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.623 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -94.8 12.74 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.909 -175.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -67.17 153.3 44.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 176.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.39 -81.48 1.6 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.911 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -150.48 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.176 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.37 -35.48 73.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.706 0.765 . . . . 0.0 109.775 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.454 ' HB3' HD22 ' A' ' 95' ' ' LEU . 25.8 mp0 -62.04 -33.95 75.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.384 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.8 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.375 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.11 -47.8 72.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.625 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -55.5 -47.25 76.51 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.6 178.429 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.35 -41.16 84.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.3 m -62.95 -32.9 74.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.888 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.509 HD11 HD21 ' A' ' 103' ' ' LEU . 70.5 mt -63.11 -47.24 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.373 175.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -58.42 -44.28 89.0 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.982 0.42 . . . . 0.0 110.358 174.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.637 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 55.6 t30 -56.54 -44.33 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.757 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -62.0 -54.24 44.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.72 ' HZ ' HD21 ' A' ' 87' ' ' LEU . 21.5 m-30 -66.58 -40.88 89.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.552 -174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -66.04 -40.16 90.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.794 0.33 . . . . 0.0 110.724 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.637 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 m-20 -75.12 -38.8 60.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.697 -176.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 t -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 0.0 111.378 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.77 -25.03 26.92 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' A' ' 116' ' ' GLY . 64.8 tttp -90.73 172.53 8.58 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 115' ' ' LYS . . . 94.48 151.57 28.4 Favored Glycine 0 C--N 1.313 -0.699 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.973 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -128.18 136.04 50.56 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.428 HD13 ' HE2' ' A' ' 110' ' ' PHE . 21.8 tp -129.09 136.42 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.443 0.639 . . . . 0.0 110.732 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.6 tp -131.35 111.9 12.26 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.765 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.82 132.95 52.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.599 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -127.41 148.39 17.47 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.743 177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -164.36 175.2 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -99.63 -24.39 14.75 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.539 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -109.4 -173.43 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.607 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 p -95.44 153.67 39.5 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.8 -31.05 94.41 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.33 2.687 . . . . 0.0 114.107 -171.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.1 -6.6 59.0 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -128.24 13.61 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.725 0.298 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.836 HD22 ' HB3' ' A' ' 93' ' ' GLU . 78.7 mt -70.96 154.88 41.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.303 175.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.67 80.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.19 0.519 . . . . 0.0 110.121 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -139.22 161.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.596 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -80.52 168.6 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 111.333 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -56.18 -56.73 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.034 -168.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.12 -39.82 83.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.456 HD11 HD13 ' A' ' 103' ' ' LEU . 40.2 tp -71.4 -35.1 70.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.114 0.483 . . . . 0.0 110.127 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -61.59 -40.26 94.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.381 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.0 p -72.4 -37.3 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.893 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.579 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 9.6 mmt180 -63.36 -33.95 76.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.841 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.249 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.59 -12.17 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.756 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 26.2 m-85 -80.91 -16.02 54.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.468 . . . . 0.0 110.383 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.406 ' HG ' ' N ' ' A' ' 40' ' ' TYR . 32.7 t -90.24 144.14 26.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.482 -176.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.45 156.22 35.33 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.65 116.54 48.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.683 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.496 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 83.6 m-85 -131.22 155.71 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.497 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.436 ' HB3' ' NE1' ' A' ' 42' ' ' TRP . 3.6 pt-20 -135.85 150.97 49.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.199 -177.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 45' ' ' GLU . 14.3 m -84.55 -2.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.551 ' C ' ' HD2' ' A' ' 148' ' ' LYS . 0.3 OUTLIER -68.7 159.58 81.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 175.235 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo . . . . . 0 C--O 1.251 1.131 0 C-N-CA 122.845 2.364 . . . . 0.0 111.726 175.677 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.826 0.346 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.67 89.31 0.48 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.52 141.34 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.738 0.304 . . . . 0.0 111.196 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -143.66 118.49 9.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.804 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -81.14 127.23 32.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.47 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.86 116.58 29.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.459 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -151.22 102.44 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.974 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -161.99 131.72 4.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.065 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -118.98 155.77 30.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.634 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -115.23 146.18 41.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -118.08 113.93 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 111.032 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -116.33 103.65 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.696 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -114.65 104.66 54.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.847 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -93.76 112.14 0.2 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.32 2.68 . . . . 0.0 112.593 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 p -131.73 96.88 4.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.191 0.52 . . . . 0.0 110.629 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.53 169.86 9.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.064 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -142.5 129.74 21.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.71 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -88.02 -166.61 1.63 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 1.023 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 21.4 t80 -136.37 -68.16 0.5 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 167.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 1.023 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 3.1 pp -116.34 0.33 12.79 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.12 1.368 . . . . 0.0 107.616 -22.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.05 145.41 9.64 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.098 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -84.11 130.44 34.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.8 0.8 . . . . 0.0 111.339 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -174.67 99.67 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.709 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.56 16.46 7.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.08 66.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.794 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.574 ' O ' HG22 ' A' ' 30' ' ' VAL . 44.9 mt-10 -56.7 -38.45 72.32 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.22 -44.67 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.94 -33.47 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.263 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.97 -42.0 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.368 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 26' ' ' GLU . 72.8 t -64.07 -49.85 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.311 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.679 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 4.2 pp -75.15 173.15 11.17 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.057 0.456 . . . . 0.0 111.782 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -157.88 -81.56 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.299 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -179.79 136.68 0.12 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 146.47 23.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 110.579 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -126.09 139.0 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.527 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.15 -136.6 48.27 Favored Glycine 0 N--CA 1.454 -0.119 0 O-C-N 123.61 0.569 . . . . 0.0 113.193 173.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.52 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 1.2 pt20 -134.51 -85.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.284 0.042 . . . . 0.0 110.928 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 117' ' ' PHE . 98.7 m-85 -73.29 99.38 2.88 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 177.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mm -111.09 122.08 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.636 0.731 . . . . 0.0 110.989 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.721 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 58.2 t80 -125.42 130.34 51.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.322 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.16 117.5 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.024 0.44 . . . . 0.0 110.851 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CD2' HG21 ' A' ' 125' ' ' THR . 0.3 OUTLIER -85.29 92.88 8.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.658 0.742 . . . . 0.0 110.927 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.18 55.4 4.94 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.119 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.653 ' HG2' ' HA ' ' A' ' 124' ' ' TYR . 58.7 mt-10 -72.2 92.12 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.301 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -167.36 -61.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.27 -29.04 2.65 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.439 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.11 -53.22 28.81 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.453 0.301 . . . . 0.0 111.37 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.06 56.73 19.64 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.47 174.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.814 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -86.57 100.42 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.029 0.443 . . . . 0.0 110.819 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.1 m -86.84 17.72 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.497 0.665 . . . . 0.0 110.441 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -61.52 -34.69 75.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.171 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.38 -30.45 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 119' ' ' LEU . 14.4 tp -64.63 -42.71 95.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.38 -37.2 71.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.578 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.679 ' HA ' ' HA ' ' A' ' 31' ' ' LEU . . . -59.27 -45.51 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.076 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.6 t90 -58.34 -38.97 78.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.277 -177.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' ' 69' ' ' TYR . 59.2 t -63.1 -46.28 96.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.59 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.576 ' HG2' ' O ' ' A' ' 55' ' ' ALA . 14.1 mm100 -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.119 0.485 . . . . 0.0 110.412 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.69 80.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 82.8 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.53 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.18 -28.58 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.321 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.19 -6.2 50.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.36 26.55 63.39 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.262 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -115.28 158.57 22.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 44.0 t30 -82.48 133.4 35.2 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.235 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.7 129.41 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.597 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.18 138.44 46.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.452 ' HB3' HG23 ' A' ' 57' ' ' VAL . 41.9 p90 -117.28 133.78 55.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 77' ' ' LEU . 73.4 mt -127.39 114.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.845 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.926 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 15.4 p-10 -94.13 102.03 14.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.795 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.78 61.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.547 -169.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.75 25.24 7.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.072 0.463 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.543 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 28.0 t -158.26 -36.51 0.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 48.1 mtm -126.05 145.23 51.46 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.387 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.19 153.72 41.1 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.214 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' HA ' HG23 ' A' ' 70' ' ' ILE . 36.5 tp -76.15 144.18 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -131.54 153.93 49.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.383 . . . . 0.0 111.144 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.66 -15.45 60.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.892 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.14 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.338 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 87' ' ' LEU . . . -53.27 -24.25 11.04 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -66.96 -13.55 61.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -22.48 63.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.085 0.469 . . . . 0.0 111.111 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -102.13 149.15 24.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.477 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -88.3 -31.66 18.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.581 0.705 . . . . 0.0 109.425 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -99.32 106.77 18.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.609 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.0 mm? -111.98 130.63 55.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.84 26.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.6 125.52 59.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.926 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.2 t70 -100.11 120.36 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.747 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 61.67 94.74 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.774 0.797 . . . . 0.0 111.606 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.07 -25.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.738 -169.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -19.82 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 21.8 mmmt -83.42 4.6 26.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -173.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.0 145.33 30.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.28 -82.99 0.73 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.77 -54.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.98 -36.57 79.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.91 -29.01 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.334 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -71.73 -35.81 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.055 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.69 77.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 0.0 110.052 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.7 tm? -64.84 -49.55 70.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.009 175.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.87 -45.03 82.76 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.348 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB2' HD12 ' A' ' 135' ' ' LEU . 86.5 t80 -52.0 -47.65 64.83 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.888 175.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -62.77 -35.7 80.69 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.379 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.4 mt -59.53 -49.95 81.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.4 -45.11 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.941 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 66.9 t30 -64.61 -46.2 83.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.766 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -55.68 -48.45 75.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.535 ' HE2' ' HB2' ' A' ' 118' ' ' LEU . 17.2 m-30 -62.24 -44.11 97.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -65.57 -33.45 75.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -70.04 -43.45 71.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 -36.26 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.85 -9.97 58.59 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -137.94 172.96 12.16 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.6 150.16 7.93 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -171.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 24.3 m-85 -116.7 -76.41 0.57 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.354 -174.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.535 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 40.0 tp 70.96 142.12 0.05 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.872 0.844 . . . . 0.0 111.406 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.405 HD21 HD11 ' A' ' 53' ' ' LEU . 66.8 tp -140.67 127.88 21.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.632 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.71 117.46 28.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.968 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.84 70.99 2.82 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -76.87 140.54 40.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.223 0.535 . . . . 0.0 111.611 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.15 -14.38 31.23 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.799 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.653 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 64.0 m-85 -134.23 167.73 20.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 110.82 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.549 HG21 ' CD2' ' A' ' 42' ' ' TRP . 22.5 p -76.83 160.27 77.02 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.594 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.07 -17.29 24.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.139 1.892 . . . . 0.0 111.257 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.84 -34.47 69.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.67 -4.66 22.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 125' ' ' THR . 85.0 mt -81.48 132.41 35.32 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.625 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.39 84.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.379 0.609 . . . . 0.0 110.026 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.21 176.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.214 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -73.32 148.94 43.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.56 -27.08 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.79 -176.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.28 -41.36 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 104' ' ' PHE . 62.1 tp -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.269 0.557 . . . . 0.0 109.851 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.359 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.4 m -66.94 -39.48 87.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.492 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.434 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 16.9 mmt180 -69.22 -14.06 62.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.713 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.55 -18.46 63.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.149 0.499 . . . . 0.0 110.781 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.97 3.79 40.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 23.2 m-85 -93.97 9.58 36.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.323 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.7 p -132.68 158.77 41.47 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.869 0.366 . . . . 0.0 110.699 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.67 154.18 21.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.799 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.721 ' HA ' ' O ' ' A' ' 40' ' ' TYR . 44.4 t -133.92 128.87 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.7 139.68 34.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.868 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . 0.559 ' OE1' ' HG2' ' A' ' 148' ' ' LYS . 7.4 tp10 -84.8 122.62 29.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 0.0 110.081 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.8 -2.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.969 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.559 ' HG2' ' OE1' ' A' ' 146' ' ' GLU . 19.5 ptpt -88.51 127.11 57.88 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.842 0.353 . . . . 0.0 110.298 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 5.9 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 123.065 2.51 . . . . 0.0 111.85 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tpt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.74 87.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.073 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.47 81.38 8.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.384 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -109.63 104.47 13.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.354 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -114.43 123.3 49.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.963 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -120.5 154.22 35.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.717 0.294 . . . . 0.0 111.456 -171.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -164.74 143.85 7.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.987 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -166.18 121.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -122.12 157.7 30.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -84.28 94.82 8.52 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 174.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.2 mtp -102.44 56.68 0.79 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -169.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 36.7 t70 -175.61 106.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -109.24 93.2 12.69 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.047 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -80.09 111.1 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.91 2.407 . . . . 0.0 112.305 -177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -79.46 118.2 21.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.308 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -133.57 161.95 33.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.196 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -144.18 140.89 29.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.88 ' HG2' HD12 ' A' ' 20' ' ' LEU . 41.9 tttp -164.47 117.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.583 ' HA ' ' HB2' ' A' ' 20' ' ' LEU . 77.6 t80 176.11 93.34 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -167.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.88 HD12 ' HG2' ' A' ' 18' ' ' LYS . 28.3 mt 58.19 82.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.3 1.84 . . . . 0.0 113.05 18.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.8 64.74 0.19 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -128.74 23.57 5.78 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -169.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.08 113.17 12.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.586 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -105.57 0.42 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.32 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.49 71.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.458 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.51 ' O ' HG21 ' A' ' 30' ' ' VAL . 34.2 mt-10 -70.13 -38.97 75.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.483 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.3 -39.87 78.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.35 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.84 -33.77 65.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.136 0.493 . . . . 0.0 110.507 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -65.89 -30.14 70.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.162 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 26' ' ' GLU . 65.2 t -67.16 -34.14 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.84 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.48 109.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.424 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.546 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 11.4 ttt180 -113.63 -168.41 1.34 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.193 -174.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -115.45 175.9 5.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.878 -0.146 . . . . 0.0 111.123 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HG3' ' HE1' ' A' ' 56' ' ' TRP . 37.1 ttpt -118.46 -76.08 0.58 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -172.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.7 m80 66.04 69.33 0.44 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.01 -167.93 24.18 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.535 -0.84 . . . . 0.0 113.27 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.28 -53.48 0.96 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.087 0.47 . . . . 0.0 109.788 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 143' ' ' LEU . 67.6 m-85 -106.54 107.45 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.446 HG21 HG12 ' A' ' 41' ' ' VAL . 69.3 mt -129.57 120.92 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.679 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 38.5 t80 -105.47 120.45 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 170.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 145' ' ' TYR . 9.5 m -118.55 128.77 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -120.14 143.89 47.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.05 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.28 -151.64 23.41 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.907 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -131.94 114.63 14.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.77 0.319 . . . . 0.0 111.004 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.27 92.25 2.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' HA3' ' CD2' ' A' ' 51' ' ' HIS . . . 92.42 19.43 38.42 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.992 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.98 -84.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.491 0.717 . . . . 0.0 112.102 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.93 7.34 9.38 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.555 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -104.7 137.37 42.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.736 0.303 . . . . 0.0 110.382 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.778 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 3.3 m -71.69 73.9 0.81 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.558 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' CD2' ' HA3' ' A' ' 46' ' ' GLY . 10.1 m170 -61.43 -38.05 85.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 110.778 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.49 -51.27 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.778 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 6.7 mp -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.118 -171.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.67 -42.04 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.804 0.335 . . . . 0.0 110.705 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' A' ' 32' ' ' ARG . . . -66.27 -39.89 89.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.54 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 34.3 t90 -61.18 -42.95 99.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.783 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 69' ' ' TYR . 42.5 t -67.55 -46.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.761 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.62 76.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.567 0.222 . . . . 0.0 111.249 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -68.27 -38.77 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.103 0.477 . . . . 0.0 110.589 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 65.7 mt -59.01 -48.85 80.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.62 -13.05 60.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 111.391 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.82 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.675 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.29 69.56 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.144 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -112.38 153.98 26.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.7 132.43 38.16 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.96 136.09 22.51 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.088 -173.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.45 17.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.632 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HB3' HG22 ' A' ' 57' ' ' VAL . 22.6 p90 -111.69 125.95 54.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.8 mt -121.22 118.04 54.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.107 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 5.4 p-10 -89.0 120.76 30.7 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 91' ' ' GLN . . . -73.74 -2.35 22.97 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.188 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.34 -42.8 16.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.542 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -115.34 -18.4 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.118 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 60.0 mtm -122.1 145.76 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 111.553 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.84 164.05 8.98 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.758 2.306 . . . . 0.0 111.662 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD21 HD11 ' A' ' 106' ' ' ILE . 36.1 tp -88.83 144.21 26.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.945 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.6 p -123.38 157.25 33.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 110.69 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.54 -14.76 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.442 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -24.62 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.969 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.77 -19.77 60.01 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.12 -21.99 64.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.861 0.363 . . . . 0.0 111.158 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.84 -25.02 26.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.215 0.531 . . . . 0.0 110.756 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 110.69 19.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.829 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.02 -30.39 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 22.2 m-85 -97.87 93.04 6.12 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 42.3 tp -113.06 134.11 54.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.216 0.531 . . . . 0.0 110.57 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' A' ' 53' ' ' LEU . . . -125.18 126.8 45.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.956 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 58.9 t -120.85 117.28 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.912 0.387 . . . . 0.0 109.99 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.504 ' HB2' HD21 ' A' ' 53' ' ' LEU . 12.2 t70 -101.09 130.42 47.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.26 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.547 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 40.3 mt-30 57.4 55.75 5.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.189 0.518 . . . . 0.0 111.061 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -56.96 -24.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.275 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 56.4 mmtt -85.93 -9.98 55.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.879 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.548 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 91.0 mt -61.89 139.36 58.38 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.734 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.53 -77.14 0.25 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.222 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.59 -59.89 0.13 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.32 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.9 mp0 -67.15 -32.09 72.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.49 -38.53 84.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.132 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.33 75.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.278 0.561 . . . . 0.0 110.487 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 106' ' ' ILE . 39.7 tp -67.1 -47.75 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.135 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.405 HD11 HD21 ' A' ' 135' ' ' LEU . 3.1 tm? -57.9 -44.19 86.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.728 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -52.63 -46.0 66.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -64.9 -41.19 95.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.474 HD11 HD21 ' A' ' 77' ' ' LEU . 70.3 mt -65.4 -44.92 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 178.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -40.71 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.245 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.669 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 59.5 t30 -59.55 -52.24 66.4 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.918 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.481 ' HD3' ' C ' ' A' ' 109' ' ' ARG . 1.1 tmt_? -55.22 -47.2 75.66 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.473 0.483 . . . . 0.0 111.006 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.01 -54.59 45.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.459 -178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.42 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 38.6 tpt85 -72.23 -28.71 63.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.986 -176.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.669 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -64.52 -44.51 90.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.272 178.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.6 t -78.43 -35.5 46.8 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.251 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.73 -28.52 13.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.622 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 79.6 tttt -104.86 171.89 7.08 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.403 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 120.21 122.27 2.97 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -98.13 116.82 31.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 87' ' ' LEU . 17.1 tp -125.17 131.55 53.2 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.268 0.556 . . . . 0.0 110.242 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 53' ' ' LEU . 46.6 tp -123.74 109.65 13.95 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.334 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.439 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 80.5 mt -108.19 117.74 34.93 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.72 147.59 18.03 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.381 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.2 t -167.07 162.86 15.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.965 0.412 . . . . 0.0 110.119 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -85.01 -21.44 29.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.329 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.9 178.01 4.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.941 0.4 . . . . 0.0 110.661 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.52 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 19.2 p -101.03 153.86 37.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.757 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.679 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 58.5 Cg_endo -71.89 -15.02 29.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.754 2.302 . . . . 0.0 111.831 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -75.82 -13.76 60.29 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.865 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -145.62 23.61 1.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.303 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 125' ' ' THR . 59.7 mt -67.86 133.99 50.11 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.39 76.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.1 pt -139.93 -173.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.377 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 132' ' ' ARG . 12.6 mmt180 -58.24 128.35 36.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.21 -20.42 63.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.096 0.474 . . . . 0.0 109.992 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.609 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 9.0 m-20 -58.72 -33.19 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.953 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.518 ' O ' ' HG2' ' A' ' 139' ' ' MET . 19.5 mt -81.26 -43.36 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.89 176.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.88 -42.27 62.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.379 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -66.99 -32.78 74.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.767 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 14.7 mmt180 -75.89 -24.15 55.62 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.324 . . . . 0.0 110.788 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 26.5 mmt -65.85 -18.73 65.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.717 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.53 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.215 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.437 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 89.6 m-85 -97.44 10.56 39.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.443 0.64 . . . . 0.0 109.773 176.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.67 152.56 43.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.977 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 11.5 mt -76.84 161.33 28.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.376 0.607 . . . . 0.0 111.52 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.92 116.75 38.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.471 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.522 ' HB2' HG13 ' A' ' 41' ' ' VAL . 92.5 m-85 -119.61 122.54 41.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.399 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.01 113.53 19.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.043 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 54.7 t -85.01 -34.44 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 45.3 tttm -115.6 133.41 22.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.209 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 11.4 Cg_exo . . . . . 0 C--O 1.247 0.948 0 C-N-CA 122.898 2.399 . . . . 0.0 110.955 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -139.31 15.27 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 66.1 100.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.262 0.553 . . . . 0.0 111.34 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -107.28 125.73 51.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.215 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -110.02 100.56 9.48 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.833 -174.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -117.7 119.43 34.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.639 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -92.67 138.47 31.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.279 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.75 -43.59 36.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.4 m 74.68 154.24 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.167 0.917 . . . . 0.0 112.578 173.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -133.86 74.34 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.239 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.4 mtt -89.64 79.75 6.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 0.0 111.28 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -166.96 114.78 0.82 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.504 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 8.4 p90 -147.13 132.42 9.12 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.013 0.435 . . . . 0.0 111.514 -172.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 8.9 Cg_endo -87.83 94.44 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.425 2.75 . . . . 0.0 112.248 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -127.29 96.01 4.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.155 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -141.82 109.39 5.66 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.86 -67.83 0.25 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.78 166.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.507 ' HZ1' ' CD ' ' A' ' 26' ' ' GLU . 65.1 tttp -60.3 154.48 20.03 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.85 0.46 . . . . 0.0 110.753 -177.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.923 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -132.65 -65.66 0.71 Allowed 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -178.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.923 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 86.5 mt -105.9 106.59 17.16 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 125.883 1.673 . . . . 0.0 108.502 -20.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.553 ' H ' ' HB3' ' A' ' 19' ' ' PHE . . . 64.3 -127.36 34.82 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.197 -174.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 p -132.13 77.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.232 0.539 . . . . 0.0 110.762 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -136.79 100.76 4.4 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.442 ' O ' HG22 ' A' ' 28' ' ' VAL . 40.8 m-80 -85.4 10.39 12.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 -170.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.89 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.553 0.216 . . . . 0.0 111.439 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.507 ' CD ' ' HZ1' ' A' ' 18' ' ' LYS . 44.1 mt-10 -72.21 -30.54 65.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -75.28 -41.82 56.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.497 -176.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 24' ' ' ASN . 58.9 t -62.32 -32.89 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.457 . . . . 0.0 110.28 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.22 -24.42 64.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.269 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.704 HG12 ' HA ' ' A' ' 55' ' ' ALA . 81.8 t -73.85 -34.85 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.678 -178.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' HB3' ' HD3' ' A' ' 32' ' ' ARG . 10.3 mp -70.86 151.31 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.479 ' HD3' ' HB3' ' A' ' 31' ' ' LEU . 0.0 OUTLIER 73.02 123.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.517 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -155.73 132.09 10.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -159.23 145.58 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 p80 174.64 168.21 0.26 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.008 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -177.46 13.41 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.809 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -58.91 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.431 0.616 . . . . 0.0 111.954 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.504 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 81.5 m-85 -87.03 114.55 23.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.757 -175.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.7 mm -127.43 130.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 111.171 -177.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.38 127.05 52.77 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 145' ' ' TYR . 14.0 m -128.18 112.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.208 0.528 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -119.9 10.19 11.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.653 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.38 -23.8 71.94 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.506 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 63.58 86.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.812 0.445 . . . . 0.0 111.44 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.99 142.94 27.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.07 -52.54 42.79 Favored Glycine 0 C--N 1.329 0.187 0 O-C-N 123.481 0.488 . . . . 0.0 113.332 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.93 10.32 29.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.824 0.312 . . . . 0.0 111.515 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.54 42.61 1.32 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.124 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -84.24 85.32 7.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.52 -0.4 . . . . 0.0 110.649 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 38.6 m 68.87 -2.39 1.75 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.187 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -73.26 -33.31 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 0.0 110.727 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.57 -26.95 68.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.087 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mp -65.29 -38.72 91.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -43.35 96.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.704 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -61.78 -44.81 96.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.043 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 41.5 t90 -59.42 -44.38 92.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.01 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG23 ' HB3' ' A' ' 69' ' ' TYR . 61.3 t -64.92 -46.52 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.526 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.99 82.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.45 -36.59 81.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.54 76.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.142 0.496 . . . . 0.0 110.182 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.503 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.55 -21.73 62.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.8 1.77 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.26 32.18 60.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.552 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -122.05 161.06 23.7 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.567 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 47.7 t30 -86.97 133.05 33.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 86' ' ' TYR . . . -153.8 147.84 25.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.611 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.21 135.53 10.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 43.1 p90 -107.37 131.38 54.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.401 ' HA ' ' HE2' ' A' ' 75' ' ' MET . 69.3 mt -121.91 124.67 71.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.795 -176.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 2.8 m-20 -82.57 106.03 14.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.8 44.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.932 0.396 . . . . 0.0 111.716 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB1' ' OE1' ' A' ' 91' ' ' GLN . . . -114.36 39.82 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.453 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 23.1 t -165.68 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.934 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 70' ' ' ILE . 73.8 mtm -131.05 144.38 53.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.245 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.27 157.94 29.72 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.544 2.163 . . . . 0.0 112.545 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 102' ' ' LEU . 34.8 tp -93.65 143.95 25.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -139.89 157.91 44.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.023 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.69 -14.1 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.3 -25.79 62.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 110.667 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -21.7 61.73 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.843 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.48 -17.81 62.97 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 111.08 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.39 -20.14 34.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.38 0.609 . . . . 0.0 110.497 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.567 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -85.69 137.4 32.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.206 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -90.68 -29.5 17.68 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.463 0.649 . . . . 0.0 110.158 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 74.1 m-85 -112.88 100.61 8.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.64 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.402 HD11 ' HB3' ' A' ' 84' ' ' ALA . 3.3 mm? -104.58 133.27 49.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.627 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -126.03 122.95 37.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.634 175.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.431 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 47.0 t -120.91 124.5 72.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.898 0.38 . . . . 0.0 110.32 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.91 148.96 33.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.484 ' OE1' ' HB1' ' A' ' 73' ' ' ALA . 34.4 mt-30 63.58 35.31 11.81 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.7 0.625 . . . . 0.0 110.065 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.706 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 11.8 p -65.21 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.956 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.553 ' HA ' HD22 ' A' ' 129' ' ' LEU . 34.2 mm-40 -65.99 -12.42 54.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.193 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -101.19 14.5 31.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 75.1 mt -56.05 134.85 52.84 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.713 0.292 . . . . 0.0 111.28 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.09 -89.79 1.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.968 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -129.27 -70.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.689 -0.301 . . . . 0.0 110.612 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -62.04 -31.65 72.08 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.235 0.541 . . . . 0.0 110.472 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.472 ' HB3' HD23 ' A' ' 95' ' ' LEU . 16.8 mp0 -64.06 -40.25 95.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.78 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.16 -45.36 85.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.091 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.47 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -67.18 -48.37 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 0.0 109.709 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.96 -44.61 74.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.716 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -52.83 -48.95 66.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.287 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -63.12 -34.48 77.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.286 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 102' ' ' LEU . 65.2 mt -62.11 -46.89 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.571 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.542 ' HE1' ' HG ' ' A' ' 118' ' ' LEU . 3.1 m-30 -64.77 -32.86 74.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.023 177.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -67.43 -39.51 85.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.29 -44.28 97.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.48 -50.45 72.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.603 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.363 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -41.13 82.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.053 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.7 t -98.71 -26.42 14.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.916 0.388 . . . . 0.0 111.375 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.2 20.31 67.52 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 68.9 tttt -114.0 174.16 6.08 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.075 -0.563 . . . . 0.0 109.516 -174.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.424 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 87.78 166.76 42.78 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.135 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.47 -69.4 0.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.542 ' HG ' ' HE1' ' A' ' 107' ' ' PHE . 1.4 tm? 75.54 126.7 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.419 1.074 . . . . 0.0 110.039 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 118' ' ' LEU . 59.2 tp -129.1 130.29 46.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.869 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.431 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 95.6 mt -121.91 122.47 39.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.41 . . . . 0.0 111.041 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.95 -103.72 1.15 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 65.06 -154.67 0.28 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.395 0.617 . . . . 0.0 112.069 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -149.8 166.48 29.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 66.96 -163.23 0.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.276 0.489 . . . . 0.0 109.856 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 p -129.57 152.74 80.2 Favored Pre-proline 0 C--N 1.322 -0.602 0 O-C-N 121.955 -0.466 . . . . 0.0 110.689 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.669 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 38.0 Cg_endo -68.66 -18.39 42.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.576 2.184 . . . . 0.0 111.852 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.83 -19.39 60.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.265 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -90.89 -8.36 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.227 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.553 HD22 ' HA ' ' A' ' 93' ' ' GLU . 32.8 mt -68.65 134.11 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 112.236 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.36 82.94 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.822 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 26.1 pt -135.81 -174.36 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.005 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.3 mmt-85 -54.1 132.06 42.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.17 -38.17 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.42 -38.1 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.565 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -81.51 -37.05 28.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.125 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.2 -27.74 62.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.434 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -34.71 77.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.081 0.467 . . . . 0.0 109.956 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -68.62 -31.77 71.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.538 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.669 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 24.8 mmt -67.31 -20.48 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.72 8.42 10.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.736 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.53 -12.19 40.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.522 0.201 . . . . 0.0 111.369 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.504 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 28.3 p -87.95 141.76 28.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.1 0.476 . . . . 0.0 110.677 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.72 154.24 28.71 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.214 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.4 t -117.71 116.13 50.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.376 . . . . 0.0 110.329 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.484 ' HB2' HG11 ' A' ' 41' ' ' VAL . 36.2 m-85 -107.42 120.72 42.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.929 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.83 113.44 20.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.652 174.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 28.4 t -102.29 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -174.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 27.3 tptp 60.12 89.31 0.11 Allowed Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 123.841 0.713 . . . . 0.0 112.003 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.068 2.512 . . . . 0.0 111.641 175.869 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.988 0.423 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.34 50.28 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.712 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 67.52 177.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.433 0.635 . . . . 0.0 111.819 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -134.35 116.52 15.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.132 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -120.52 94.74 4.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.456 0.646 . . . . 0.0 111.598 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -109.44 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.895 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -144.83 133.31 21.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.158 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -111.62 148.57 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 20.0 p -147.76 78.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 111.816 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 9' ' ' SER . 10.1 t60 174.17 98.22 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.438 174.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -142.18 7.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.756 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -98.17 112.02 24.14 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.713 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.55 108.42 17.36 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.977 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -81.61 116.52 2.92 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.846 2.364 . . . . 0.0 111.963 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -150.91 90.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.231 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.51 125.27 16.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.332 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -147.53 135.72 21.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.761 0.315 . . . . 0.0 110.193 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.746 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 21.5 ptmt -177.17 173.83 1.74 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.163 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.942 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 28.0 m-85 -127.86 -59.85 1.18 Allowed 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.942 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 13.0 mt -113.24 -176.0 2.8 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.086 1.354 . . . . 0.0 109.325 -14.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.11 149.98 24.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.865 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.759 HG21 ' HG3' ' A' ' 23' ' ' GLU . 56.3 m -157.33 133.88 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.215 0.206 . . . . 0.0 110.476 177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.759 ' HG3' HG21 ' A' ' 22' ' ' THR . 45.4 mt-10 66.9 110.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.82 0.7 . . . . 0.0 112.255 176.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -88.83 15.52 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.975 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.58 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.548 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' HG21 ' A' ' 30' ' ' VAL . 36.7 mt-10 -69.96 -27.03 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.444 -177.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 tp -72.68 -45.13 60.41 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.232 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.5 t -60.89 -36.36 71.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.76 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -56.93 -45.54 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.269 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 26' ' ' GLU . 59.7 t -69.14 -40.19 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -172.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 94.5 mt -48.36 98.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -168.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.716 ' H ' ' HB2' ' A' ' 55' ' ' ALA . 67.1 mmt-85 -135.52 170.47 15.9 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 173.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -165.99 -17.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -55.25 101.4 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' HE2' HD23 ' A' ' 52' ' ' LEU . 34.0 m80 -157.83 -171.34 3.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.266 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.08 -146.95 13.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 44.5 tt0 -92.91 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.33 104.36 14.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -123.6 122.85 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -173.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -111.18 123.15 49.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.44 133.27 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.129 0.49 . . . . 0.0 109.815 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -105.51 16.98 24.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.674 ' HA3' HG13 ' A' ' 147' ' ' VAL . . . -142.82 119.62 1.42 Allowed Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.257 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.72 151.66 46.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -58.29 -34.59 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -173.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.84 65.2 0.13 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.636 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.58 24.5 3.54 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.195 0.585 . . . . 0.0 110.366 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.92 -28.34 21.27 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.5 tptt 60.24 82.22 0.16 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.925 -0.637 . . . . 0.0 112.304 173.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.504 ' HA ' HD12 ' A' ' 53' ' ' LEU . 0.5 OUTLIER 59.57 20.17 8.7 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.949 172.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 ' HE2' ' A' ' 35' ' ' HIS . 62.4 tp -75.62 -26.92 58.22 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.277 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 50' ' ' SER . 7.2 mp -73.27 -49.59 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.568 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -67.59 -34.09 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.437 0.637 . . . . 0.0 110.099 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.716 ' HB2' ' H ' ' A' ' 32' ' ' ARG . . . -56.09 -48.21 76.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.63 175.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 42.8 t90 -58.1 -35.66 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.392 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 69' ' ' TYR . 79.5 t -69.93 -55.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.272 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HA ' HD13 ' A' ' 61' ' ' LEU . . . -61.04 -38.37 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.942 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -66.43 -40.58 89.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.99 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.346 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 58' ' ' ALA . 79.8 mt -59.76 -46.42 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.934 176.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.43 -26.53 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.24 -7.29 48.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.46 13.04 42.8 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.708 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -107.39 179.23 4.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 64.2 t30 -110.08 134.57 52.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.775 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -150.95 150.42 30.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.58 138.02 19.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.474 ' HB3' HG23 ' A' ' 57' ' ' VAL . 51.0 p90 -104.94 136.16 44.94 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.98 116.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.496 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.15 94.87 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 91' ' ' GLN . . . -70.92 -7.03 42.95 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -170.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.96 40.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.077 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -129.9 -15.74 3.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.025 0.441 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 87.3 mtp -123.76 150.95 63.4 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 -176.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -91.84 155.04 3.39 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.935 2.423 . . . . 0.0 111.896 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.92 143.96 29.5 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -133.06 171.13 14.4 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.042 0.449 . . . . 0.0 111.094 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.06 -12.85 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.81 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.38 -26.11 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.862 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.516 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.7 m-85 -66.47 -20.2 65.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.694 0.283 . . . . 0.0 111.478 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -82.08 -21.83 36.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.468 . . . . 0.0 111.354 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -84.17 144.46 28.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.375 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -84.86 -32.91 22.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.866 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.467 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.5 m-85 -116.39 113.7 23.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.336 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.5 mm? -110.0 120.85 43.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.872 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 115.68 25.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.886 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.11 123.74 68.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.93 116.05 28.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.422 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.568 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 1.9 mp0 57.62 72.36 0.52 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 -174.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.517 HG11 ' OG ' ' A' ' 122' ' ' SER . 8.0 p -70.23 -17.94 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.036 0.446 . . . . 0.0 111.222 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HB3' HD12 ' A' ' 129' ' ' LEU . 5.3 pm0 -73.6 -7.69 52.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.114 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.0 mmmt -84.25 -3.64 58.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 111.25 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.663 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 88.3 mt -75.94 140.5 42.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.664 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.31 -84.83 0.59 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.755 -173.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -129.47 -70.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 111.464 -172.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.0 -36.6 84.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.298 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.7 mp0 -60.09 -36.93 78.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.981 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.506 ' OE1' ' HG3' ' A' ' 132' ' ' ARG . 67.7 mt-30 -71.29 -34.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.682 0.277 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.13 72.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 0.0 110.08 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -65.91 -48.72 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.404 176.242 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 135' ' ' LEU . 2.8 tm? -55.07 -45.29 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.884 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.49 ' HD1' ' HG3' ' A' ' 138' ' ' ARG . 42.4 t80 -52.36 -50.57 62.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 174.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.516 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 7.5 t -60.74 -38.36 84.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.746 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 102' ' ' LEU . 76.3 mt -58.12 -52.38 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.8 -43.43 90.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.0 -53.58 51.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.34 -40.86 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.712 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.4 -38.42 87.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.695 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 111' ' ' ARG . 26.4 mmt180 -74.98 -26.13 59.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.547 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -41.99 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -78.73 -40.78 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.053 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.83 -19.33 52.68 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 115' ' ' LYS . 2.3 tmmt? -106.65 173.47 6.3 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.44 144.38 12.52 Favored Glycine 0 C--N 1.32 -0.341 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.619 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.499 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 71.5 m-85 -120.46 140.87 50.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.767 0.318 . . . . 0.0 110.715 -175.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.523 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -137.87 130.19 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -176.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.03 115.39 18.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.927 0.394 . . . . 0.0 109.98 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.53 122.9 49.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.4 105.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.517 ' OG ' HG11 ' A' ' 92' ' ' VAL . 44.6 m -129.12 -179.28 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.442 ' HG3' ' CD2' ' A' ' 124' ' ' TYR . 7.7 tp10 -102.99 112.51 25.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.02 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.442 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 40.1 m-85 72.73 -176.8 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.292 0.637 . . . . 0.0 111.758 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -85.21 155.1 60.45 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.82 -173.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.73 -22.59 62.06 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.505 2.803 . . . . 0.0 113.909 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -80.61 -19.08 46.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -92.78 -14.27 28.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 109.925 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.422 HD12 ' HB3' ' A' ' 93' ' ' GLU . 96.9 mt -91.48 134.84 34.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.404 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -92.23 89.21 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 0.0 110.23 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.44 -175.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.506 ' HG3' ' OE1' ' A' ' 100' ' ' GLN . 48.2 mtp180 -63.46 132.04 50.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.34 -42.43 77.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.875 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.703 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 30.7 t70 -63.54 -39.67 95.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.46 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.666 HD13 HD13 ' A' ' 103' ' ' LEU . 58.7 tp -64.91 -35.52 81.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.17 -40.84 95.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.189 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.441 HG21 ' O ' ' A' ' 134' ' ' ASP . 13.7 t -76.85 -20.59 56.13 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.828 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 23.8 mmt180 -77.24 -23.5 51.29 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.133 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.68 -20.8 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.84 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.27 -4.74 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -92.69 18.64 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 0.0 111.26 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 28.9 p -136.48 162.83 31.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.03 154.38 22.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -119.25 117.24 53.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.844 0.354 . . . . 0.0 110.139 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -98.25 123.73 42.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.2 126.14 31.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.828 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.674 HG13 ' HA3' ' A' ' 43' ' ' GLY . 10.6 p -79.72 -23.11 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.617 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 98.0 mttt -84.38 122.38 75.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.147 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 2.1 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.708 2.272 . . . . 0.0 110.719 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.76 74.44 0.41 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.799 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -69.7 90.37 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 110.518 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.1 144.78 31.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.464 ' O ' ' HB2' ' A' ' 6' ' ' HIS . 54.3 t-80 -107.99 -32.08 7.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.945 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' HIS . 22.3 m-70 72.89 155.65 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.778 0.674 . . . . 0.0 111.652 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -137.82 103.81 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.569 174.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -93.52 121.65 35.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.99 0.424 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -85.17 154.37 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.303 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -132.49 109.18 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.584 174.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ttt -104.47 119.89 40.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -112.61 142.12 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.402 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -118.23 90.35 37.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -101.11 174.87 0.28 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.413 2.742 . . . . 0.0 113.675 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.4 m 61.47 91.2 0.06 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.426 172.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -147.1 109.03 4.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.189 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -155.29 138.78 15.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.052 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.808 ' HB2' HD12 ' A' ' 20' ' ' LEU . 59.6 pttt -110.39 128.44 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 111.284 -177.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.819 ' HA ' ' HB2' ' A' ' 20' ' ' LEU . 37.0 t80 172.07 88.87 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -177.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.819 ' HB2' ' HA ' ' A' ' 19' ' ' PHE . 45.7 mt 69.02 100.03 0.06 Allowed 'General case' 0 C--O 1.231 0.091 0 C-N-CA 127.113 2.165 . . . . 0.0 112.116 20.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.12 155.63 7.82 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -155.16 146.69 23.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.452 0.626 . . . . 0.0 111.334 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -126.8 132.24 51.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.673 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 28' ' ' VAL . 30.8 p-10 -93.65 16.25 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -51.11 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.6 mt-10 -66.0 -29.7 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.842 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 27' ' ' LEU . 3.5 mm? -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 24' ' ' ASN . 65.3 t -66.95 -38.76 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.47 -26.16 67.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.812 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.827 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 99.1 t -70.12 -32.04 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.449 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.35 -179.66 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 75.37 -164.56 0.07 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.584 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 75.31 93.74 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.035 0.934 . . . . 0.0 111.825 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -81.36 178.85 8.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.108 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' HD23 ' A' ' 119' ' ' LEU . 4.6 p80 -177.46 -28.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.34 -176.35 19.67 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.043 -1.075 . . . . 0.0 113.057 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 56.0 tt0 -80.28 -77.11 0.2 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.608 0.363 . . . . 0.0 111.933 -176.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.18 99.41 11.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' O ' HD11 ' A' ' 119' ' ' LEU . 50.6 mm -121.73 124.04 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.14 0.495 . . . . 0.0 111.313 -174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 56.9 t80 -109.98 125.3 52.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.221 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.9 143.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -133.39 53.48 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.572 0.701 . . . . 0.0 110.367 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.84 107.23 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.15 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.19 142.28 57.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.429 . . . . 0.0 111.796 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -175.33 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.532 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.12 -99.47 0.17 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.813 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.6 101.45 3.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.889 0.375 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.09 121.67 2.54 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.951 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -134.74 -74.85 0.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.57 ' HA ' HD13 ' A' ' 53' ' ' LEU . 34.7 m 60.72 5.51 0.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 161.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.508 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 7.3 p-80 -64.49 -32.8 74.58 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.959 1.254 . . . . 0.0 111.356 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 53' ' ' LEU . 3.1 pp -76.39 -26.11 55.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.619 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.3 mp -74.46 -47.72 31.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 176.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.508 ' HG2' ' HA ' ' A' ' 51' ' ' HIS . 12.1 pt20 -63.28 -39.18 93.86 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.111 -174.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.827 ' HA ' ' O ' ' A' ' 30' ' ' VAL . . . -58.0 -40.78 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.66 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.478 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.1 t90 -69.76 -41.84 74.64 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.646 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 69' ' ' TYR . 72.4 t -62.94 -51.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.867 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.83 85.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.305 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.16 -39.0 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.397 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.76 77.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.598 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.12 -49.37 77.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.91 -7.82 56.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.185 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.12 59.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.267 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.62 24.22 39.88 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.397 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -109.51 159.7 16.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.34 132.35 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -157.7 141.31 15.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.749 -174.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.82 140.75 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.482 ' HB3' HG21 ' A' ' 57' ' ' VAL . 50.9 p90 -118.42 132.79 56.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.506 ' HA ' ' HE2' ' A' ' 75' ' ' MET . 72.8 mt -120.99 128.25 76.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -176.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 1.7 m-20 -91.73 109.28 20.59 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.65 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.25 -3.21 34.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 33.4 t -125.98 -29.9 3.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.28 0.562 . . . . 0.0 110.547 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 70' ' ' ILE . 78.9 mtm -136.05 144.23 47.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.034 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.38 163.0 17.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.344 2.029 . . . . 0.0 111.616 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 37.0 tp -86.34 144.19 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.2 p -123.84 161.29 25.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -74.84 -18.71 60.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -24.49 66.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.012 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.24 -18.1 56.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.835 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.14 -27.5 69.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -78.67 -24.74 44.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.67 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.444 ' HB3' HD22 ' A' ' 87' ' ' LEU . . . -72.67 119.74 17.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.424 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.39 -33.72 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.767 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.478 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 10.5 m-85 -111.83 100.55 9.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 HD22 ' HB3' ' A' ' 84' ' ' ALA . 1.5 tm? -116.0 130.55 56.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.0 110.463 -173.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -130.56 136.04 48.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.89 133.52 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.829 0.347 . . . . 0.0 110.483 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.95 136.71 46.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 65.56 42.16 3.81 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.631 0.582 . . . . 0.0 111.183 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.68 HG23 HD23 ' A' ' 120' ' ' LEU . 21.3 t -55.04 -30.64 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.732 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -32.65 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.17 19.62 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -172.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.623 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -80.31 138.59 36.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 170.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 69.91 0.81 Allowed Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.708 -0.758 . . . . 0.0 114.055 -172.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.6 t30 70.89 -60.22 0.51 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.112 0.565 . . . . 0.0 112.145 175.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.71 -53.29 53.5 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.342 0.257 . . . . 0.0 111.08 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.4 mp0 -67.64 -28.9 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.14 -42.18 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.075 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.94 72.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -66.2 -49.3 67.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.379 174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.56 -44.05 76.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.298 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.571 ' HD1' ' HG ' ' A' ' 135' ' ' LEU . 77.1 t80 -55.62 -42.43 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 176.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.0 t -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.458 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.53 -45.41 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.942 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.84 -41.58 82.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.092 0.472 . . . . 0.0 109.975 173.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 36.1 t30 -58.45 -53.83 53.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.469 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.06 -35.84 79.84 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.146 -175.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CD1' ' HA3' ' A' ' 116' ' ' GLY . 20.8 m-30 -68.77 -54.41 16.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.916 0.388 . . . . 0.0 110.477 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.55 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -66.41 -46.21 77.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.824 -175.003 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.9 p -82.03 -43.16 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.503 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.27 -2.82 43.54 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.77 173.22 6.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.554 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 103.64 143.42 12.68 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.895 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.434 ' CD2' ' HG3' ' A' ' 37' ' ' GLN . 76.9 m-85 -127.27 127.14 43.89 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.44 HD13 ' HE2' ' A' ' 110' ' ' PHE . 22.1 tp -126.01 138.0 53.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.278 0.561 . . . . 0.0 111.126 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.561 HD23 ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -128.79 122.75 31.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.35 177.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.68 HD23 HG23 ' A' ' 92' ' ' VAL . 89.6 mt -121.42 127.19 50.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.54 146.57 17.87 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.6 t -160.53 -178.77 7.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.192 0.496 . . . . 0.0 110.627 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.45 -14.56 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.987 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -133.94 -175.46 3.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.42 ' HB ' ' HD2' ' A' ' 126' ' ' PRO . 6.6 p -74.81 155.18 87.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.287 175.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.671 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 37.1 Cg_endo -63.89 -30.48 67.69 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 122.99 2.46 . . . . 0.0 113.898 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.33 -4.46 42.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.721 0.296 . . . . 0.0 111.088 -176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -101.23 -6.21 24.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.313 0.578 . . . . 0.0 109.765 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 125' ' ' THR . 96.1 mt -71.31 139.04 49.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.46 79.98 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.583 0.706 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.8 pt -131.79 -173.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.538 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.574 ' HB2' ' HB2' ' A' ' 135' ' ' LEU . 4.5 mmp_? -47.73 130.64 14.61 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.562 0.539 . . . . 0.0 110.456 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.528 ' O ' ' HG2' ' A' ' 136' ' ' ARG . 37.2 tt0 -65.38 -34.01 77.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.147 -175.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.09 -42.44 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 132' ' ' ARG . 3.7 tt -61.84 -38.83 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.074 -175.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 133' ' ' GLU . 16.9 ptp180 -65.02 -22.08 66.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 p -80.43 -30.43 37.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.23 0.538 . . . . 0.0 109.864 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -67.68 -19.5 65.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.465 0.65 . . . . 0.0 109.791 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.671 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 21.0 mmt -64.15 -19.01 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.212 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.76 -5.09 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.645 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.71 -26.25 59.69 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.687 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 p -103.23 162.41 13.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.65 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.402 ' N ' HD13 ' A' ' 143' ' ' LEU . 6.5 mp -83.2 153.81 24.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.918 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.47 116.56 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.063 0.459 . . . . 0.0 109.834 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -120.65 129.74 53.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.455 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.11 125.84 48.91 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.415 ' O ' ' HD3' ' A' ' 149' ' ' PRO . 12.6 m -129.86 43.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -174.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -96.71 111.88 58.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 147' ' ' VAL . 4.8 Cg_exo . . . . . 0 C--O 1.245 0.869 0 C-N-CA 123.021 2.48 . . . . 0.0 110.851 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.782 0.325 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.23 160.18 32.33 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -126.27 -29.34 3.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.922 0.391 . . . . 0.0 110.755 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -107.02 144.33 33.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.707 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -171.96 113.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.565 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -102.65 172.68 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -84.67 113.35 21.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 0.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -87.96 177.68 6.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.48 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -110.26 -86.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.65 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 178.04 84.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.6 mtp -106.41 82.27 1.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HB3' ' HZ1' ' A' ' 49' ' ' LYS . 5.2 p-10 -174.31 178.28 2.06 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 -176.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 51.4 t80 -176.09 113.44 0.26 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.452 173.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 23.9 Cg_exo -63.66 90.5 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.912 2.408 . . . . 0.0 112.673 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -157.08 85.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.504 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -165.03 93.88 0.63 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -114.95 92.33 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.062 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -151.43 109.08 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.336 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.703 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 37.8 t80 -175.57 72.5 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.703 ' C ' ' HA ' ' A' ' 19' ' ' PHE . 45.0 mt 39.71 70.11 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.774 2.03 . . . . 0.0 113.275 10.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.02 102.51 0.59 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.149 -175.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -92.9 139.28 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 171.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 66.02 118.72 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.672 0.608 . . . . 0.0 109.86 -167.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' HG22 ' A' ' 28' ' ' VAL . 85.8 m-20 -94.64 21.89 6.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.07 72.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.635 0.255 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.54 ' O ' HG21 ' A' ' 30' ' ' VAL . 38.2 mt-10 -67.81 -26.26 65.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.69 177.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.86 -43.87 82.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.274 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 24' ' ' ASN . 57.8 t -63.1 -33.89 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.029 0.443 . . . . 0.0 110.07 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.32 -32.89 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.602 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG12 ' HA ' ' A' ' 55' ' ' ALA . 79.2 t -74.93 -34.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.28 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.75 114.48 1.72 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.117 0.485 . . . . 0.0 111.327 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.9 162.13 22.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.833 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -97.53 37.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 pttm 46.29 -162.72 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.288 1.035 . . . . 0.0 112.831 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -151.92 -169.02 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.476 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.3 -161.73 18.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.673 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 22.9 mt-30 -79.31 -73.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.946 0.373 . . . . 0.0 110.907 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 99.4 m-85 -102.31 99.74 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.511 -176.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.87 118.29 54.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.258 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.39 123.79 48.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.59 118.85 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.152 0.501 . . . . 0.0 110.032 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -106.51 153.63 22.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.135 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.87 -113.98 0.59 Allowed Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.304 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' HG2' ' H ' ' A' ' 45' ' ' GLU . 16.2 tt0 -159.92 -169.02 2.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -172.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.762 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 8.1 pt-20 -72.01 151.91 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.024 0.44 . . . . 0.0 110.514 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.43 -142.99 9.37 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.54 ' O ' ' HB2' ' A' ' 51' ' ' HIS . . . -66.3 -14.47 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.359 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.406 ' HA2' HD13 ' A' ' 52' ' ' LEU . . . -69.55 -31.63 70.96 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.53 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.762 ' HD3' ' HB2' ' A' ' 45' ' ' GLU . 46.9 mtmt -66.09 106.98 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.161 0.184 . . . . 0.0 110.913 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.0 m 68.0 -45.94 0.51 Allowed 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.066 0.854 . . . . 0.0 112.943 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.54 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 94.5 m-70 -57.3 -53.05 62.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD13 ' HA2' ' A' ' 48' ' ' GLY . 64.8 mt -64.09 -33.55 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' A' ' 90' ' ' ASP . 7.2 mp -72.16 -45.56 59.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.663 ' HA ' HG12 ' A' ' 30' ' ' VAL . . . -61.28 -42.65 99.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 43.6 t90 -71.14 -40.53 71.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.979 -177.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 69' ' ' TYR . 42.1 t -68.22 -47.44 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.502 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.81 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.36 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.568 -178.303 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.89 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.018 0.437 . . . . 0.0 110.517 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.48 -47.28 86.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.158 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.22 -9.34 58.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.388 . . . . 0.0 111.102 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 -4.16 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.49 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.78 14.99 51.21 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.9 159.24 18.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.529 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 57.7 t30 -92.93 133.7 35.85 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -144.69 149.55 35.82 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.493 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.92 131.46 13.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HB3' HG23 ' A' ' 57' ' ' VAL . 46.5 p90 -109.37 131.09 55.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.67 113.29 36.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.455 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.622 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.7 m-20 -79.85 102.18 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -18.89 60.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -173.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 26.8 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.787 0.327 . . . . 0.0 111.644 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -162.9 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 0.0 110.607 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 72.3 mtm -127.39 144.26 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.604 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.2 162.65 7.08 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.777 2.318 . . . . 0.0 112.591 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.7 tp -84.99 144.44 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 p -133.79 164.39 27.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.857 0.361 . . . . 0.0 110.605 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.97 -12.74 61.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.249 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.96 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.053 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -21.91 61.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.059 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.99 -12.63 61.85 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -81.08 -25.92 36.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.176 0.513 . . . . 0.0 110.823 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -89.02 144.46 26.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.259 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.66 -33.95 16.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.973 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 11.8 m-85 -105.9 105.85 16.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.078 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.57 135.11 50.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.869 0.366 . . . . 0.0 110.678 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.85 124.68 41.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.895 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.53 114.44 44.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.71 0.291 . . . . 0.0 110.723 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.622 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 14.5 t70 -90.07 121.69 32.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.71 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 47.2 mt-30 62.83 57.3 1.74 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.545 0.528 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.435 HG11 ' HB2' ' A' ' 122' ' ' SER . 12.0 p -57.43 -23.52 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.358 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.54 ' HB2' HD22 ' A' ' 129' ' ' LEU . 32.7 tt0 -60.0 -24.94 64.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 111.515 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 mppt? -89.2 19.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.129 -173.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.39 151.4 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 173.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -128.72 5.73 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.29 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -89.19 -71.0 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.422 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.32 -33.89 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 -174.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 99' ' ' GLU . 1.5 mp0 -60.78 -37.96 83.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.499 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.513 ' HG3' HD22 ' A' ' 135' ' ' LEU . 10.0 tt0 -66.85 -43.53 83.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 0.0 110.569 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.89 -48.41 74.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.393 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.23 -46.34 75.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.26 -42.11 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.0 m -62.5 -37.92 87.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.904 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.73 -47.86 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 110.173 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.76 -48.45 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.232 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.489 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 28.2 t-20 -61.26 -37.99 85.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.21 -50.52 67.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.288 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.88 -42.99 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.536 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -65.37 -25.98 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.813 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -64.23 -50.39 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.249 0.547 . . . . 0.0 110.328 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -79.52 -38.95 33.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.392 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.39 -7.75 30.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.056 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 34.9 tttt -102.9 -165.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.406 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 102.61 132.26 7.61 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.963 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.43 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.1 m-85 -117.52 119.98 36.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.727 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.2 104.86 16.93 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.43 123.31 46.62 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.879 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -128.09 147.03 17.14 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.783 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.435 ' HB2' HG11 ' A' ' 92' ' ' VAL . 9.7 t -176.47 161.03 2.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.3 131.02 44.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 66.53 -164.06 0.23 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 111.776 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.1 p -89.56 157.55 46.78 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.898 -173.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.36 -26.23 63.54 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.932 2.421 . . . . 0.0 112.33 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.49 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 35.6 mt-30 -81.79 -4.19 55.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.142 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.95 -9.97 15.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.849 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 93' ' ' GLU . 88.0 mt -75.5 146.82 40.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.339 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.67 90.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.318 0.58 . . . . 0.0 110.597 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.492 HD12 HD21 ' A' ' 135' ' ' LEU . 14.2 pt -144.72 -173.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.301 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -57.73 134.25 56.06 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.42 -32.37 73.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.657 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 1.8 t70 -58.52 -50.05 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.562 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 tp -63.73 -36.22 83.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HD3' ' HA ' ' A' ' 127' ' ' GLN . 41.0 ttm180 -56.54 -46.79 80.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.513 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.48 HG21 ' O ' ' A' ' 134' ' ' ASP . 13.8 t -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.66 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 16.0 mmt180 -71.59 -39.22 70.68 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-O 121.275 0.56 . . . . 0.0 109.613 173.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 88.2 mmm -62.2 -31.37 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.251 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.38 -5.57 45.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.047 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.622 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 36.9 m-85 -78.52 -12.0 59.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 34.0 m -90.13 174.35 7.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.072 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.99 162.75 17.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.307 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.0 t -130.63 116.16 34.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.488 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -108.26 144.23 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.37 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -105.66 115.02 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.12 -30.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 52.14 80.88 0.28 Allowed Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.362 0.414 . . . . 0.0 111.812 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.95 2.434 . . . . 0.0 111.757 176.708 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 127.62 86.01 0.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.219 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -122.41 62.09 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.438 0.637 . . . . 0.0 111.001 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -116.87 110.27 18.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.163 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -148.35 103.34 3.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.684 0.754 . . . . 0.0 111.498 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -154.5 127.25 8.12 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.011 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -144.89 128.0 16.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.029 0.442 . . . . 0.0 111.518 -176.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -158.38 83.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.363 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -95.12 73.03 3.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.144 0.497 . . . . 0.0 111.254 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -154.44 108.79 3.0 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -157.32 34.59 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -149.49 126.63 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 111.258 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -134.71 109.42 11.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.365 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.16 113.07 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.657 2.238 . . . . 0.0 111.326 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 p -109.2 112.03 23.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 65.83 19.11 11.29 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.65 0.594 . . . . 0.0 110.885 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -78.58 139.65 38.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.061 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.798 ' HG3' ' HG ' ' A' ' 20' ' ' LEU . 28.5 ttmt 72.59 135.95 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 124.151 0.907 . . . . 0.0 111.571 175.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.687 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 67.3 m-85 -125.43 -56.21 1.52 Allowed 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.798 ' HG ' ' HG3' ' A' ' 18' ' ' LYS . 12.4 mt -103.28 -30.17 10.8 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.767 1.227 . . . . 0.0 110.226 -12.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.66 -74.06 2.27 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.95 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.59 -177.81 4.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.039 -0.095 . . . . 0.0 111.138 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 74.51 109.99 0.07 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 124.022 0.826 . . . . 0.0 111.416 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -115.03 18.48 16.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.327 -177.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.03 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.772 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' O ' HG21 ' A' ' 30' ' ' VAL . 20.9 mt-10 -65.5 -37.88 88.08 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.708 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mm? -66.34 -32.42 73.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.77 -39.31 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -71.44 -32.49 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.551 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 55' ' ' ALA . 73.3 t -66.06 -34.55 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.056 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.4 mt -62.45 104.88 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.879 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' A' ' 33' ' ' HIS . 66.1 ttt180 -145.63 173.16 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 16.2 t-80 -77.53 133.37 38.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.774 0.321 . . . . 0.0 111.297 -177.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -176.33 5.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.141 0.495 . . . . 0.0 112.203 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -134.23 -169.23 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -166.27 8.42 Favored Glycine 0 CA--C 1.522 0.49 0 O-C-N 123.424 0.453 . . . . 0.0 113.877 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.578 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 19.8 mt-30 -72.05 -72.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 120.735 0.302 . . . . 0.0 111.626 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -98.5 101.88 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.417 HD13 ' HE2' ' A' ' 145' ' ' TYR . 46.6 mm -122.22 129.12 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 -175.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' HB2' ' SG ' ' A' ' 142' ' ' CYS . 43.8 t80 -116.01 126.85 54.36 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG11 ' HB2' ' A' ' 145' ' ' TYR . 6.2 m -125.2 138.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.277 -176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 -146.09 148.38 32.57 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.486 ' HA3' ' HB ' ' A' ' 147' ' ' VAL . . . 140.29 177.25 15.76 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 149' ' ' PRO . 52.2 mp0 -72.81 100.36 2.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.537 0.335 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 46.68 -156.28 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.416 1.086 . . . . 0.0 112.379 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -92.19 0.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.2 -26.99 14.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.733 0.301 . . . . 0.0 110.428 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.3 21.01 11.11 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.605 -172.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' ' 51' ' ' HIS . 68.2 mttm -144.58 -176.7 5.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.35 18.96 0.06 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -172.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' A' ' 49' ' ' LYS . 89.2 m-70 -73.44 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 111.267 -178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.48 -26.03 63.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.565 ' HG ' ' HB3' ' A' ' 88' ' ' ALA . 6.7 tp -54.69 -52.44 62.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.466 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.03 -40.67 62.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.622 ' HA ' HG11 ' A' ' 30' ' ' VAL . . . -56.98 -45.68 82.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.283 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 52.1 t90 -64.04 -41.17 97.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.122 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 69' ' ' TYR . 54.5 t -67.93 -46.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.759 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.0 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.585 0.231 . . . . 0.0 111.289 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.2 -48.43 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' HB3' ' CD2' ' A' ' 86' ' ' TYR . . . -66.11 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.535 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 67.1 mt -63.0 -42.77 99.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.04 -6.95 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.13 0.86 50.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.128 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.5 16.04 78.63 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.168 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -107.68 168.79 9.01 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 44.4 t30 -101.34 133.25 46.23 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.94 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.93 160.81 42.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.12 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.24 131.76 5.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' A' ' 57' ' ' VAL . 14.4 p90 -104.9 125.06 50.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 69.8 mt -124.16 118.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.623 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 4.5 p-10 -95.04 114.26 26.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.383 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -60.27 -18.33 48.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.999 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.89 72.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -127.89 -11.59 5.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.942 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 66.3 mtm -139.32 143.49 36.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.784 0.326 . . . . 0.0 111.579 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 86.9 Cg_endo -97.28 169.83 0.83 Allowed 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.301 2.667 . . . . 0.0 112.371 174.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.77 144.04 25.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -139.51 168.63 19.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.99 -24.26 62.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.229 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -25.77 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 110.483 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 -9.03 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.646 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -70.11 -16.97 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.253 0.549 . . . . 0.0 109.96 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.38 -23.0 64.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.24 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -75.04 139.32 42.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -86.02 -33.18 21.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.236 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.591 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 10.3 m-85 -112.02 108.84 18.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.336 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.7 mm? -103.14 131.12 50.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.046 0.45 . . . . 0.0 110.884 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB3' ' HG ' ' A' ' 53' ' ' LEU . . . -119.53 116.22 25.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.536 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.47 122.7 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.0 111.504 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.835 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 22.4 t70 -98.42 126.75 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.708 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 46.4 mt-30 58.73 52.72 6.46 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.572 0.545 . . . . 0.0 111.77 176.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.9 p -58.35 -22.06 19.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.641 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.567 ' HG3' HD22 ' A' ' 129' ' ' LEU . 2.9 tm-20 -65.96 -25.72 67.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.397 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.708 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 23.9 mmmt -83.74 -2.15 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 111.464 -172.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 95.9 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 111.143 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.07 70.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.255 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 t30 69.41 -63.92 0.36 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.207 0.603 . . . . 0.0 112.481 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.5 -50.58 72.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.617 0.246 . . . . 0.0 111.497 -171.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.56 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.8 mp0 -59.89 -42.9 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.45 -25.8 57.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.047 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.23 78.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.287 0.565 . . . . 0.0 109.635 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.77 -46.98 82.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.182 174.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.67 -44.78 73.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB2' HD12 ' A' ' 135' ' ' LEU . 77.8 t80 -52.14 -46.29 65.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 177.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 t -62.92 -44.98 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.86 -51.32 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.16 0.505 . . . . 0.0 110.445 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -62.97 -42.32 99.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -63.45 -50.07 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.123 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -66.41 -36.06 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -61.61 -50.55 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 111.08 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -28.11 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 0.0 110.651 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -75.13 -41.77 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.955 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 m -67.16 -43.11 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.68 -34.67 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.684 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -114.38 173.23 6.56 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.79 138.59 5.72 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.591 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 3.8 m-85 -120.99 140.0 52.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.758 0.313 . . . . 0.0 110.528 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.43 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.24 117.27 11.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 -179.497 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.4 tp -106.79 110.12 22.21 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.603 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.96 114.13 28.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -104.26 112.91 4.26 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.865 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.0 m -152.69 132.86 13.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.96 -27.98 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.44 ' CE2' HD21 ' A' ' 129' ' ' LEU . 10.0 p90 -122.76 171.23 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.917 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 127' ' ' GLN . 8.7 p -73.07 154.23 90.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -169.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.456 ' HA ' ' CD1' ' A' ' 129' ' ' LEU . 20.7 Cg_exo -66.02 -24.36 52.76 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.236 2.624 . . . . 0.0 112.505 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.422 ' OE1' ' HB ' ' A' ' 125' ' ' THR . 23.7 mp0 -67.05 -24.55 66.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.626 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -99.72 5.13 45.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.567 HD22 ' HG3' ' A' ' 93' ' ' GLU . 85.9 mt -85.45 133.69 34.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.53 70.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.628 0.728 . . . . 0.0 109.733 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 pt -119.42 177.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.36 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -54.94 138.81 42.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.566 0.541 . . . . 0.0 110.403 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -33.51 71.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.83 0.348 . . . . 0.0 110.527 -177.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.8 -28.36 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.439 HD12 ' HB2' ' A' ' 104' ' ' PHE . 58.7 tp -81.28 -37.19 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.982 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -61.91 -38.62 89.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.334 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.6 p -64.57 -37.16 86.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.362 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.444 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 28.5 mmt180 -69.69 -19.56 63.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.267 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -70.42 -19.6 62.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.52 9.81 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.787 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.444 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 36.3 m-85 -94.42 11.56 30.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.654 0.264 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 40' ' ' TYR . 28.6 p -116.68 -173.62 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mp -109.1 153.69 23.34 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.9 t -118.04 116.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.09 0.471 . . . . 0.0 110.756 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.434 ' HB2' HG11 ' A' ' 41' ' ' VAL . 89.4 m-85 -107.89 130.24 55.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.523 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.89 153.12 19.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.416 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.486 ' HB ' ' HA3' ' A' ' 43' ' ' GLY . 56.4 t -106.2 -82.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.921 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 35.4 ttpt 68.09 124.95 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.495 0 C-N-CA 123.368 0.667 . . . . 0.0 111.424 -176.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 2.1 Cg_endo . . . . . 0 C--O 1.243 0.739 0 C-N-CA 123.156 2.571 . . . . 0.0 111.489 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.25 76.76 1.04 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.394 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -118.62 75.74 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.017 0.436 . . . . 0.0 110.933 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.406 ' HB3' ' H ' ' A' ' 5' ' ' HIS . 33.9 m170 -135.63 -161.05 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.731 176.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.406 ' H ' ' HB3' ' A' ' 4' ' ' HIS . 37.7 m80 69.32 23.46 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.692 0.62 . . . . 0.0 110.371 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -105.55 101.66 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -177.61 114.97 0.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.98 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -147.88 115.85 6.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -170.87 129.77 0.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.709 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -139.06 116.59 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.2 mtp -114.35 91.2 3.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.248 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -108.41 135.16 50.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.468 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 p90 -116.45 133.53 22.97 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.79 0.328 . . . . 0.0 111.365 -174.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 6.1 Cg_exo -74.32 162.24 38.83 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.891 2.394 . . . . 0.0 111.353 174.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 p -153.52 105.21 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.314 0.578 . . . . 0.0 111.471 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.47 ' HE2' ' HE3' ' A' ' 18' ' ' LYS . 81.3 t80 -153.95 133.57 12.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.941 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -140.14 143.03 35.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 111.93 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HE3' ' HE2' ' A' ' 16' ' ' PHE . 22.3 pttp -173.57 -176.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.473 172.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 43.3 t80 -145.44 -50.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.597 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 1.5 pp -114.1 6.27 16.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.061 0.945 . . . . 0.0 110.284 -10.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.81 -127.25 4.0 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.4 m 75.37 -31.07 0.2 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.95 0.5 . . . . 0.0 112.338 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.41 28.09 1.16 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.206 0.527 . . . . 0.0 110.907 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -83.78 24.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.29 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.096 -175.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.9 mt-10 -63.97 -31.72 73.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.062 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.81 -38.14 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.157 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 40.2 t -66.83 -32.33 57.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.233 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -65.95 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.731 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 26' ' ' GLU . 92.6 t -76.23 -43.66 37.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.319 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.702 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 4.6 pp -56.38 145.45 27.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.279 0.562 . . . . 0.0 111.964 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -144.46 42.35 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.756 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m80 68.55 -175.05 0.19 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.206 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HB3' ' HZ1' ' A' ' 34' ' ' LYS . 1.1 ptpm? -103.1 -175.29 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.991 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -143.6 -170.31 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.75 -161.78 16.7 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.699 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 40.8 mt-30 -78.52 -76.22 0.2 Allowed 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.5 97.71 7.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.023 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -118.56 123.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -110.6 109.13 19.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.795 ' HB ' ' HB ' ' A' ' 147' ' ' VAL . 14.2 m -89.4 122.04 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.588 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 7.4 p-90 -120.53 157.97 28.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.491 -172.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.5 80.36 1.52 Allowed Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.903 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.31 135.33 56.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.747 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 6.5 tm-20 -109.2 -40.77 4.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.971 -174.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.18 70.71 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.244 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.65 84.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.61 118.79 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.747 168.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.747 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 75.3 mmtt -128.91 16.82 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.374 0.607 . . . . 0.0 109.708 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 53' ' ' LEU . 10.6 m -68.97 -5.53 22.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.876 -171.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -56.89 -33.09 66.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.988 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.58 -25.91 61.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.08 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 50' ' ' SER . 7.1 mp -70.47 -44.03 68.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.85 -45.92 92.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.131 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.702 ' HB1' ' HA ' ' A' ' 31' ' ' LEU . . . -62.66 -43.23 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.694 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -60.89 -41.39 95.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.644 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 70.5 t -64.4 -49.14 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.234 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.7 82.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.413 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.06 -43.65 98.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.94 68.47 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 79.5 mt -61.9 -47.83 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.6 -21.53 65.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.936 0.398 . . . . 0.0 111.201 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -14.83 60.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.71 20.69 33.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.085 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -102.54 -174.46 2.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.425 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 51.8 t30 -109.47 133.07 53.52 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -153.1 141.62 20.81 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.442 -175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.73 142.11 28.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.446 ' HB3' HG22 ' A' ' 57' ' ' VAL . 22.5 p90 -111.35 136.02 51.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.718 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.483 ' HA ' ' HE1' ' A' ' 75' ' ' MET . 71.1 mt -132.99 128.13 56.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.411 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' HB2' ' NE2' ' A' ' 91' ' ' GLN . 3.5 p-10 -121.23 126.71 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.03 12.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.672 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 91' ' ' GLN . . . -114.36 20.17 15.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.241 0.543 . . . . 0.0 110.582 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -167.09 -33.12 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.935 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.483 ' HE1' ' HA ' ' A' ' 70' ' ' ILE . 76.2 mtm -128.27 144.58 52.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -84.83 170.1 10.16 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.98 2.453 . . . . 0.0 111.239 172.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.495 HD22 ' HB3' ' A' ' 102' ' ' LEU . 38.3 tp -86.64 144.66 27.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 p -125.28 163.13 23.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.0 111.16 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.22 -12.92 59.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.505 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -24.86 66.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.797 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.461 ' HB3' HD21 ' A' ' 87' ' ' LEU . . . -59.48 -20.94 59.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.163 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.445 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 66.8 m-85 -74.6 -18.38 60.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.966 0.412 . . . . 0.0 110.973 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -89.59 -24.21 21.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 0.0 110.766 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.45 113.87 22.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.65 -42.72 98.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.448 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 42.8 m-85 -101.8 107.14 18.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.963 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' ' 81' ' ' ALA . 35.9 tp -116.26 130.51 56.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.351 0.596 . . . . 0.0 110.972 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.7 117.44 28.92 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.137 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.33 118.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.937 0.399 . . . . 0.0 110.613 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.17 175.53 5.43 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.495 ' HG2' ' HB3' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 62.22 37.25 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.121 0.486 . . . . 0.0 111.02 -175.248 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.35 157.94 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.289 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 75.83 -14.49 0.78 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.456 0.702 . . . . 0.0 111.201 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -91.93 4.88 51.98 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 122.102 -0.374 . . . . 0.0 111.433 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.62 150.74 39.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.497 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.63 -79.04 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.167 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -148.86 -66.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.326 -174.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.21 -35.93 74.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.938 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.624 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -73.86 -32.28 63.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.301 . . . . 0.0 110.666 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.14 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.479 . . . . 0.0 110.104 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.495 ' HB3' HD22 ' A' ' 77' ' ' LEU . 1.1 tm? -66.27 -45.68 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.179 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.66 -44.71 73.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.59 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -56.5 -46.74 80.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 174.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.445 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.4 t -59.53 -36.41 76.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.422 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.51 -49.0 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.4 ' HE1' ' SG ' ' A' ' 142' ' ' CYS . 10.6 m-85 -61.03 -32.11 71.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.054 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.655 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 44.1 t30 -62.21 -59.32 5.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.696 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.0 -48.91 67.16 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.339 0.399 . . . . 0.0 111.31 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.21 -55.16 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.699 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.14 -18.26 53.51 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.655 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 3.1 t-20 -63.82 -47.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 110.081 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -97.4 -4.54 38.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.49 37.85 94.17 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.415 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -132.57 174.82 9.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.26 162.36 36.73 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.661 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.3 m-85 -132.07 132.92 43.77 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 24.1 tp -135.3 136.39 41.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.456 0.646 . . . . 0.0 110.727 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.41 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.6 tp -128.65 118.98 23.84 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.551 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.52 149.08 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.16 -156.25 6.83 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.554 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 m 72.68 152.61 0.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.246 0.618 . . . . 0.0 112.137 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.08 -163.71 0.25 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.062 174.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 89.3 m-85 -98.57 -84.03 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 p -134.69 153.27 78.8 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.35 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.436 ' HA ' HD12 ' A' ' 129' ' ' LEU . 31.3 Cg_exo -61.84 -16.69 50.81 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.166 2.577 . . . . 0.0 111.974 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.91 -18.91 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.144 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -129.12 12.9 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 126' ' ' PRO . 62.2 mt -77.29 159.29 29.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.424 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.9 t -87.04 66.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.792 0.806 . . . . 0.0 110.072 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.47 HD11 ' HA ' ' A' ' 136' ' ' ARG . 14.4 pt -122.8 160.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.642 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -90.42 164.67 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.33 -46.52 83.18 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -168.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.12 -30.89 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.155 0.503 . . . . 0.0 111.029 -174.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.414 HD21 ' O ' ' A' ' 135' ' ' LEU . 5.8 tt -82.47 -36.98 26.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.317 0.58 . . . . 0.0 109.574 175.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.47 ' HA ' HD11 ' A' ' 131' ' ' ILE . 16.7 ttt180 -59.66 -38.91 82.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.793 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.7 p -67.52 -36.4 80.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.337 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.01 -36.75 80.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 175.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.0 mmt -65.9 -25.07 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.203 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.82 -12.69 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -88.85 5.39 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . 0.4 ' SG ' ' HE1' ' A' ' 107' ' ' PHE . 79.9 m -106.67 142.35 36.46 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.631 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.29 154.37 35.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.44 116.51 52.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.814 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . 0.483 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 43.6 m-85 -132.41 144.49 50.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 111.633 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.33 129.68 37.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' VAL . . . . . 0.795 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 6.5 p -98.69 86.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.097 0.951 . . . . 0.0 110.262 174.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -127.43 148.97 68.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.51 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.41 ' CD ' ' HG3' ' A' ' 45' ' ' GLU . 54.3 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.767 2.312 . . . . 0.0 111.882 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 pttt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -158.84 -164.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.651 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.15 164.68 6.14 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 48.1 tt0 -68.12 -55.35 12.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.119 -0.541 . . . . 0.0 111.56 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' HD2' ' A' ' 110' ' ' PHE . 75.5 m-85 -116.03 103.05 10.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.1 mm -123.31 131.25 73.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.323 0.583 . . . . 0.0 111.527 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 42.3 t80 -118.33 123.25 44.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.379 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.8 m -120.95 153.44 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.3 p-90 . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.596 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 m . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.46 -33.94 71.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.009 -0.432 . . . . 0.0 110.707 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.26 -30.83 63.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.108 0.48 . . . . 0.0 109.736 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 50' ' ' SER . 9.5 mp -66.66 -44.89 80.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.81 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.43 -38.42 89.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.452 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.42 -48.76 78.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.503 0.668 . . . . 0.0 110.831 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 36.7 t90 -66.34 -38.77 88.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.787 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 69' ' ' TYR . 56.2 t -64.85 -44.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.562 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.49 87.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.807 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.85 -28.62 69.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.773 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.31 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.301 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.1 -36.41 77.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.219 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.32 -26.66 68.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.633 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.9 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 110.784 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.9 16.1 75.84 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.92 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -103.58 153.43 20.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.56 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 14.7 t-20 -81.26 133.88 35.51 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 -175.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -155.97 141.57 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.085 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 146.36 24.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 111.153 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 57' ' ' VAL . 29.7 p90 -116.33 137.61 52.01 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.08 130.08 69.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.558 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 7.8 m-20 -79.53 105.19 10.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.86 3.18 2.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.893 0.377 . . . . 0.0 111.69 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.38 9.34 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.558 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 32.0 t -141.47 -29.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.332 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.5 mtm -132.1 144.26 52.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.329 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.32 160.52 15.09 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.414 2.076 . . . . 0.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 49.9 tp -91.24 144.85 25.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.804 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.2 p -131.54 164.89 24.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.471 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.03 -21.3 65.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.56 . . . . 0.0 110.406 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -24.06 64.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.359 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.15 -21.48 61.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.003 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.14 -13.01 62.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.06 -28.98 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 110.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -83.9 138.67 33.06 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.986 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -91.9 -31.54 15.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.718 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.444 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.7 m-85 -109.31 113.17 25.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.014 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.8 mm? -114.45 136.05 53.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 111.21 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.44 125.34 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.053 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 53.7 t -124.86 114.87 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -107.27 150.7 26.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 66.57 32.4 7.26 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.457 0.473 . . . . 0.0 111.402 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.32 119.9 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.515 0.674 . . . . 0.0 110.318 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 9.0 pt-20 172.87 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.151 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.542 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 30.4 mmmt -88.77 14.5 10.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.936 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.75 133.61 56.26 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.34 -84.46 1.74 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.522 -0.846 . . . . 0.0 113.345 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -139.41 -72.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.295 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.55 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.662 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.16 -32.03 73.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.981 -178.749 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.561 ' HG3' HD22 ' A' ' 135' ' ' LEU . 25.9 tt0 -72.55 -42.25 64.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.162 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.46 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.236 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -61.06 -49.35 77.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.251 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -58.06 -45.0 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.016 177.332 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.56 -46.45 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.004 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -62.1 -37.44 85.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.331 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.463 HD12 HD22 ' A' ' 103' ' ' LEU . 75.0 mt -58.6 -46.43 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.246 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -56.54 -43.44 79.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.596 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 58.6 t30 -63.44 -47.43 81.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.459 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HE ' ' C ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -60.26 -33.5 72.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.446 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.704 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 10.7 m-30 -69.13 -56.05 8.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -66.74 -33.87 76.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.198 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -66.62 -50.79 61.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -74.55 -29.19 61.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.676 -175.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.54 25.13 33.85 Favored Glycine 0 CA--C 1.507 -0.421 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -131.14 -164.03 1.39 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.856 -1.172 . . . . 0.0 109.341 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 91.37 125.41 3.33 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.908 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 81.2 m-85 -119.28 131.65 55.79 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.2 tp -139.04 141.3 38.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.486 0.66 . . . . 0.0 111.149 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.8 tp -141.36 116.3 9.84 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.351 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.2 mp -121.41 148.3 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.749 0.309 . . . . 0.0 110.814 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -142.59 135.96 6.88 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.204 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 80.7 p -156.22 -167.85 2.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.87 -5.3 21.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 125' ' ' THR . 62.8 m-85 -121.88 -88.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.79 -171.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 178.38 154.25 0.52 Allowed Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 123.035 0.534 . . . . 0.0 110.191 -178.744 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 54.8 Cg_endo -70.43 -28.57 21.86 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.4 2.067 . . . . 0.0 113.227 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -100.41 4.29 43.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.973 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -115.67 -16.49 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 125' ' ' THR . 73.1 mt -70.7 152.05 44.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.276 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.82 92.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.108 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.21 171.49 12.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.154 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.63 ' HB3' ' OD1' ' A' ' 134' ' ' ASP . 9.5 tpt180 -78.68 156.31 29.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.492 ' OE2' ' HG3' ' A' ' 132' ' ' ARG . 1.3 pm0 -68.5 -23.12 64.52 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.63 ' OD1' ' HB3' ' A' ' 132' ' ' ARG . 15.7 p-10 -69.74 -38.54 76.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.948 0.404 . . . . 0.0 110.194 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 100' ' ' GLN . 28.8 tp -79.2 -40.03 31.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.85 -36.82 77.64 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.536 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.1 p -67.32 -32.28 73.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.48 -27.26 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.2 mmm -64.54 -18.51 64.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.49 -15.95 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.453 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -79.41 -11.66 59.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 80.1 m -94.87 139.19 31.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.04 154.84 29.13 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.61 114.7 47.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.063 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.35 122.45 39.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.486 0.66 . . . . 0.0 111.771 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.205 172.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HD2' ' HB2' ' A' ' 56' ' ' TRP . 82.9 m-70 -137.15 177.29 7.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.86 -164.44 20.2 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.855 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.606 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 41.2 tt0 -78.73 -76.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.696 0.284 . . . . 0.0 110.89 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 74.4 m-85 -96.34 97.75 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 145' ' ' TYR . 49.3 mm -123.81 118.96 55.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -175.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 46.3 t80 -110.5 113.81 26.74 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 145' ' ' TYR . 22.5 m -108.4 132.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.321 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 121.531 0.681 . . . . 0.0 110.372 178.32 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -63.91 -45.78 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.929 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.37 -29.58 67.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.067 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 119' ' ' LEU . 9.9 mp -73.86 -47.38 38.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.715 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.44 -37.06 85.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.774 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 110.389 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.8 t90 -65.74 -43.35 89.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.557 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 69' ' ' TYR . 55.6 t -62.24 -47.83 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.356 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.13 79.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.201 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -61.76 -45.43 93.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.47 89.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.061 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.27 -48.95 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.212 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.49 -23.44 61.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.157 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.35 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.09 21.73 27.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.262 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.17 178.42 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' A' ' 85' ' ' GLU . 16.4 t-20 -102.89 134.41 46.36 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -153.71 135.28 14.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.984 0.421 . . . . 0.0 111.663 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.37 142.78 37.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.7 p90 -116.65 132.14 56.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.789 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.8 mt -131.47 117.65 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.269 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.757 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 21.0 p-10 -104.42 109.51 21.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.3 56.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.662 -170.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.14 -3.95 50.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 42.4 t -133.33 -30.4 1.31 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.41 ' HB2' ' HE2' ' A' ' 75' ' ' MET . 63.8 mtm -133.81 144.06 50.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.59 163.13 16.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.629 2.219 . . . . 0.0 112.046 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 tp -79.91 143.56 34.14 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.2 p -132.83 157.65 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.05 -12.37 60.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.13 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -25.87 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.777 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -61.53 -17.39 54.56 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.822 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -62.84 -24.2 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.07 -32.29 56.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.53 120.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' ' HB3' ' A' ' 66' ' ' ASN . 11.8 pt-20 -73.29 -39.93 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.951 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 36.6 m-85 -86.36 109.98 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -121.75 121.06 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.064 0.459 . . . . 0.0 110.624 -177.659 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.82 120.37 41.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.439 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.31 120.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.898 0.38 . . . . 0.0 110.813 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.757 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.9 t70 -93.02 127.13 38.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 62.75 65.5 0.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.428 0.632 . . . . 0.0 111.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 120' ' ' LEU . 24.7 t -65.44 -32.74 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.958 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.92 -10.32 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.607 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -2.48 58.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.695 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 89.3 mt -82.42 135.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.3 -110.62 2.04 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.894 -175.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -95.17 -67.44 0.85 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -170.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.33 -36.3 82.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.02 0.438 . . . . 0.0 110.809 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.4 mp0 -60.62 -41.11 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.594 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.562 ' HG3' HD22 ' A' ' 135' ' ' LEU . 7.4 tt0 -66.3 -41.63 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.79 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.21 -49.71 70.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.939 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 106' ' ' ILE . 51.2 tp -56.67 -38.24 71.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.225 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.91 -46.25 82.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.633 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -32.04 73.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.472 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 103' ' ' LEU . 70.0 mt -60.58 -49.76 83.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.429 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -59.47 -38.41 80.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.58 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.207 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -43.53 96.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 110.917 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HD2' HD21 ' A' ' 118' ' ' LEU . 16.5 m-30 -64.15 -41.68 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.0 111.386 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.598 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -76.69 -45.2 30.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.032 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -76.97 -43.97 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.357 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.11 -28.88 6.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mtmt -89.33 -166.53 1.62 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.706 -0.747 . . . . 0.0 110.353 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 85' ' ' GLU . . . 104.3 119.49 4.62 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 119.89 -1.147 . . . . 0.0 112.613 -177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 7.1 m-85 -123.01 118.62 28.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.493 HD21 ' HD2' ' A' ' 110' ' ' PHE . 4.0 mm? -107.06 111.05 23.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -177.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 53' ' ' LEU . 54.0 tp -105.02 102.85 12.32 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 92' ' ' VAL . 70.5 mt -108.49 111.72 23.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.47 -175.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.78 116.5 4.87 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.541 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 179.04 6.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.58 -48.8 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.065 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.6 -178.76 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.031 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 12.3 p -91.3 154.12 44.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 Cg_exo -67.87 -32.49 29.06 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.938 2.426 . . . . 0.0 112.838 -170.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -86.13 1.15 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.752 0.31 . . . . 0.0 110.759 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.38 -6.56 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.605 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 125' ' ' THR . 97.3 mt -94.92 158.12 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.226 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.44 86.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.12 172.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.119 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 132' ' ' ARG . 51.6 mtt-85 -83.9 155.48 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.302 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -54.79 -39.15 68.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.384 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.32 -44.53 80.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.875 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 100' ' ' GLN . 35.8 tp -79.93 -41.84 25.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.645 -178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -61.61 -37.13 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.529 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.7 p -69.34 -35.93 76.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.803 0.335 . . . . 0.0 111.284 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -75.89 -19.66 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 111.565 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.5 mmt -69.45 -21.11 63.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.972 0.415 . . . . 0.0 110.759 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.91 64.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.532 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -74.15 -20.62 60.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.511 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 81.0 m -92.27 132.46 36.67 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.394 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.21 154.15 41.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.238 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.08 116.49 52.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.868 0.366 . . . . 0.0 110.567 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.525 ' HB2' HG12 ' A' ' 41' ' ' VAL . 35.3 m-85 -113.93 121.84 45.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.265 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.393 177.772 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -160.08 -174.49 4.58 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.853 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.18 -167.76 4.31 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.286 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.73 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.592 -0.357 . . . . 0.0 111.212 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 90.7 m-85 -100.87 94.77 6.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.28 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 143' ' ' LEU . 45.2 mm -126.23 124.22 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.018 0.437 . . . . 0.0 110.9 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -113.38 125.07 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.028 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.553 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 27.8 m -122.3 157.57 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.9 0.381 . . . . 0.0 111.88 -179.582 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.595 ' HB3' HD13 ' A' ' 53' ' ' LEU . 8.9 m . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 121.818 0.818 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.38 -45.65 90.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.962 -171.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.0 tp -76.07 -30.73 58.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.749 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 119' ' ' LEU . 8.5 mp -64.86 -55.96 16.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 111.918 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.43 -39.25 93.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.213 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.07 95.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.885 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 41.9 t90 -60.36 -41.23 93.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 69' ' ' TYR . 60.5 t -59.08 -49.02 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 62' ' ' GLU . . . -61.67 -37.1 82.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.206 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -63.28 -41.9 99.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.637 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -36.47 82.34 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 93.7 mt -60.84 -36.59 79.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.83 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 58' ' ' ALA . 49.6 mt-10 -59.98 -35.3 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.583 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.42 5.74 11.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.32 19.35 71.99 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.06 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 86' ' ' TYR . 67.3 mmtt -99.08 157.54 16.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -91.97 133.86 35.32 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.911 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . . . -156.23 149.3 24.25 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.637 -178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.06 129.55 17.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.956 0.407 . . . . 0.0 111.45 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HB3' HG21 ' A' ' 57' ' ' VAL . 37.8 p90 -103.77 119.53 39.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.0 mt -106.94 114.85 47.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.503 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 49.1 t0 -85.94 107.96 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.041 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.0 -10.88 15.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.54 -3.52 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.4 t -134.69 -25.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.4 144.56 48.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.473 -176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.36 160.89 5.55 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.581 2.187 . . . . 0.0 111.835 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 99' ' ' GLU . 36.7 tp -79.27 142.56 36.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -145.27 -179.36 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 111.428 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.02 -17.7 63.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.136 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.02 57.35 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.42 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.97 67.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.689 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.2 m-85 -78.22 -13.64 59.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.286 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -89.02 -21.68 23.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.813 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.73 134.8 33.6 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.401 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.25 -44.79 71.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.778 173.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.724 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 69.7 m-85 -107.89 123.48 48.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.644 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.5 127.28 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.278 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -133.8 134.72 43.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.68 174.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 92' ' ' VAL . 48.2 t -120.19 118.52 57.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.506 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -80.54 127.12 32.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.346 174.71 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.506 ' NE2' ' HB3' ' A' ' 90' ' ' ASP . 2.4 mp0 66.85 54.37 0.8 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.532 0.52 . . . . 0.0 111.05 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 89' ' ' VAL . 47.4 t -57.57 -32.26 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.424 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.702 ' HB2' ' HA ' ' A' ' 123' ' ' GLU . 22.0 tt0 -60.98 -18.55 58.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.942 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 25.3 mmmt -99.55 10.63 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -170.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.5 152.47 34.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.299 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.57 -151.96 23.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.92 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -73.1 -52.44 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.16 -34.82 77.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 77' ' ' LEU . 17.9 mp0 -59.76 -41.61 91.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.266 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -61.61 -46.2 90.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.49 94.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -68.77 -45.65 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.744 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -54.62 -45.89 73.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.052 175.743 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.446 ' HE1' ' HE ' ' A' ' 138' ' ' ARG . 43.5 t80 -56.08 -47.71 77.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.703 174.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.503 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 70.7 m -59.99 -30.92 69.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 103' ' ' LEU . 76.1 mt -67.09 -44.4 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.451 174.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.73 -42.07 92.31 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.116 0.484 . . . . 0.0 110.1 173.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 7.6 t30 -61.18 -38.52 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.228 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.82 -45.05 91.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.452 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -62.42 -43.83 97.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 110.612 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -72.13 -32.7 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.425 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.4 OUTLIER -69.78 -37.35 76.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.32 -178.1 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -100.23 -37.41 8.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.054 -174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.59 59.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -170.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -131.05 173.38 11.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -176.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.54 160.64 33.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.141 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.724 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 64.0 m-85 -134.54 150.39 50.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 37.0 tp -127.54 158.3 37.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.709 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 33.2 tp -156.2 117.39 3.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.013 174.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.9 mt -108.39 149.72 28.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.197 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -166.74 162.95 36.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.277 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.465 ' HB3' ' H ' ' A' ' 91' ' ' GLN . 21.1 t 63.89 79.5 0.26 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.3 0.571 . . . . 0.0 111.228 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.702 ' HA ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 pt-20 -169.51 171.28 7.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.881 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 125' ' ' THR . 0.1 OUTLIER -73.87 -70.63 0.37 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.171 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -173.18 151.12 2.02 Favored Pre-proline 0 N--CA 1.465 0.275 0 C-N-CA 123.198 0.599 . . . . 0.0 109.608 172.792 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.08 -25.01 44.27 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.614 2.209 . . . . 0.0 112.468 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -93.44 -15.82 25.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.597 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -103.87 -24.23 13.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.108 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 125' ' ' THR . 83.6 mt -68.73 140.94 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 110.69 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.67 79.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.19 0.519 . . . . 0.0 109.723 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.4 pt -112.06 -179.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.349 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.539 ' HE ' ' HB3' ' A' ' 134' ' ' ASP . 46.5 ttp180 -65.42 134.59 53.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -54.31 -34.46 61.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.91 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 2.4 t70 -64.0 -35.67 81.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.038 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 tp -81.43 -31.42 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -62.74 -37.03 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -74.47 -30.6 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.338 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 38.9 mmt180 -69.3 -27.1 65.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.218 0.533 . . . . 0.0 110.235 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.0 mmt -73.7 -18.38 61.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.946 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.06 70.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 138' ' ' ARG . 29.5 p90 -95.6 16.12 18.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.251 0.548 . . . . 0.0 111.197 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 42.4 t -103.57 123.96 47.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.9 mp -67.54 154.28 41.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.13 116.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.517 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 m-85 -123.37 117.43 25.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.277 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 2.5 mptp? . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -110.78 167.56 10.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.654 0.264 . . . . 0.0 111.574 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA3' HG13 ' A' ' 39' ' ' ILE . . . 108.45 158.04 19.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.438 173.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.518 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 45.4 tt0 -114.82 -57.7 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 19.4 m-85 -108.04 96.84 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.029 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.473 HG13 ' HA3' ' A' ' 36' ' ' GLY . 47.0 mm -128.14 132.54 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 111.427 -174.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 54.8 t80 -111.23 128.7 56.01 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.036 172.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 145' ' ' TYR . 27.6 m -122.31 146.67 27.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.594 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.7 p-90 . . . . . 0 C--N 1.321 -0.632 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.503 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.424 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 7.9 p . . . . . 0 C--O 1.233 0.197 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -63.75 -58.75 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.999 0.428 . . . . 0.0 110.651 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.99 -35.01 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 13.1 tp -58.11 -51.94 67.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -71.71 -45.11 62.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.518 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -59.4 -43.82 92.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 69' ' ' TYR . 68.1 t -69.04 -54.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.005 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.89 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.106 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -64.5 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.944 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -35.05 73.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.774 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.22 -50.1 75.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.447 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.54 -6.92 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 -7.33 59.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.98 27.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.203 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -111.41 172.3 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 52.0 t30 -104.27 133.29 49.44 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.74 150.39 28.47 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.4 149.29 20.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.789 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB3' HG21 ' A' ' 57' ' ' VAL . 48.2 p90 -125.38 142.77 51.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.845 0.355 . . . . 0.0 110.255 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.518 HG13 HD12 ' A' ' 77' ' ' LEU . 38.4 mm -122.48 113.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.324 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 1.005 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.2 m-20 -89.08 94.47 9.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.466 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -66.29 -14.38 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.77 -8.03 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.688 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 m -135.47 -25.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.376 . . . . 0.0 111.919 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 76.3 mtm -134.13 151.93 77.43 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -172.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -81.93 160.8 18.51 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.576 2.184 . . . . 0.0 112.134 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 70' ' ' ILE . 36.4 tp -91.22 144.32 25.74 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 p -135.26 174.27 10.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 111.367 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.2 -13.05 59.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.586 -174.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.01 58.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.433 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -27.79 63.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.491 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -72.98 -14.28 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.6 -29.38 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -88.31 128.93 35.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.547 -175.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.75 -32.92 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.25 0.548 . . . . 0.0 110.08 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.5 m-85 -106.64 93.41 4.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.299 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 110.334 -174.182 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 53' ' ' LEU . . . -116.27 132.56 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.329 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 103' ' ' LEU . 48.3 t -120.94 129.27 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 1.005 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 12.9 t70 -106.56 135.12 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 2.1 mp0 49.86 76.4 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.09 -18.85 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.527 0.679 . . . . 0.0 110.005 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.785 ' HB2' HD22 ' A' ' 129' ' ' LEU . 6.1 tm-20 -74.07 -25.15 59.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.229 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.6 mmmt -83.81 1.08 44.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 84.0 mt -84.5 149.08 26.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.39 -93.45 1.04 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.727 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -118.57 -70.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.43 -34.31 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.068 -173.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.7 mp0 -58.02 -42.22 84.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.925 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.23 -30.37 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.97 79.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.126 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.1 tm? -63.57 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.257 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -54.95 -47.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.058 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -57.69 -45.29 85.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.84 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -58.08 -37.2 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.588 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 103' ' ' LEU . 75.3 mt -59.03 -50.4 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.347 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.12 -43.64 91.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -48.58 66.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.065 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 38' ' ' PHE . 2.3 m-85 -66.75 -35.12 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -70.59 -26.46 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.998 0.428 . . . . 0.0 110.305 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.95 -44.26 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.491 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -78.68 -43.17 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.634 0.254 . . . . 0.0 110.694 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.38 -31.61 7.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.348 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 67.7 tttt -97.03 172.55 7.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.468 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 117.89 137.91 5.88 Favored Glycine 0 C--N 1.313 -0.7 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.308 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 19.6 m-85 -109.28 131.54 54.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.78 0.324 . . . . 0.0 110.287 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.87 121.42 21.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.184 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . 56.1 tp -115.21 105.68 13.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.398 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.8 mp -100.76 118.32 36.62 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.056 0.455 . . . . 0.0 110.011 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 90' ' ' ASP . . . -116.9 134.26 11.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.46 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 11.2 t -152.76 152.42 31.64 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -78.8 7.63 6.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.009 0.433 . . . . 0.0 110.889 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' HD21 ' A' ' 129' ' ' LEU . 52.5 m-85 -139.67 174.73 10.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.623 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 82.3 p -88.45 155.51 51.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.661 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 Cg_endo -69.0 -15.57 40.04 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.49 -5.23 57.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.453 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 125' ' ' THR . 19.1 pt20 -120.03 2.54 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.746 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.785 HD22 ' HB2' ' A' ' 93' ' ' GLU . 81.7 mt -82.79 143.69 30.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.431 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.8 t -83.8 86.8 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.333 0.587 . . . . 0.0 109.686 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.644 ' HB ' HD23 ' A' ' 135' ' ' LEU . 17.8 pt -133.43 168.93 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.446 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -64.49 148.68 50.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.84 -54.59 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 10.4 t70 -66.56 -38.82 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 110.152 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.644 HD23 ' HB ' ' A' ' 131' ' ' ILE . 41.1 tp -56.74 -48.8 76.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.245 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' HB2' HG13 ' A' ' 131' ' ' ILE . 74.6 ttt180 -60.01 -27.93 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.774 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.3 m -76.32 -36.44 58.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.686 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 27.1 mmt180 -70.99 -18.89 62.59 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.709 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 92.4 mmm -64.16 -18.7 64.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.911 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.05 4.79 21.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -94.13 5.27 52.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 28.3 p -124.71 146.13 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.02 0.438 . . . . 0.0 109.976 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.447 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.1 mp -80.15 154.62 27.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.081 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 119.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.165 0.507 . . . . 0.0 110.887 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.0 m-30 -97.87 118.81 35.27 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.235 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.582 -176.796 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.5 pttt . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -148.89 -163.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.919 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.22 -164.04 4.66 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.484 -0.389 . . . . 0.0 113.5 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -84.33 -58.86 2.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.561 0.219 . . . . 0.0 111.553 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -100.05 92.12 5.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.034 0.445 . . . . 0.0 109.96 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 119' ' ' LEU . 49.3 mm -121.78 125.16 72.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.926 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 28.7 t80 -105.73 126.75 52.53 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.302 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.565 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 26.7 m -121.01 138.03 52.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 1.1 p . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -63.07 -33.97 76.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.559 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.53 -43.09 67.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 119' ' ' LEU . 8.3 mp -69.61 -37.15 76.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.681 -178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 77.8 t90 -63.62 -41.74 98.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.576 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 53' ' ' LEU . 75.1 t -63.86 -47.49 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.68 95.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.867 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -58.01 -37.92 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.74 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.95 -39.96 61.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.01 -48.07 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.191 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.14 -14.04 62.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.202 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.44 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 17.17 39.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.238 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -117.88 174.45 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -102.61 134.55 45.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.1 0.476 . . . . 0.0 111.103 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 152.0 38.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.429 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB3' HD22 ' A' ' 87' ' ' LEU . . . -125.93 126.93 45.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.07 0.462 . . . . 0.0 111.497 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -99.97 113.64 26.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.536 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.5 139.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 111.189 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 7.7 m-20 -108.11 108.8 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.67 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -103.75 17.26 24.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 111.563 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 41.9 t -138.82 -38.33 0.51 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 109.768 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 65.5 mtm -129.96 142.95 47.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.503 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.73 154.58 34.59 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.281 1.987 . . . . 0.0 111.527 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 102' ' ' LEU . 26.6 tp -77.01 142.3 39.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.3 p -134.73 172.79 12.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.16 0.505 . . . . 0.0 111.479 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.14 -15.54 63.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.035 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.02 64.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.123 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.86 66.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.92 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -79.07 -13.9 59.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 111.079 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.44 -25.97 30.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.196 0.522 . . . . 0.0 111.205 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 145.63 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -85.01 -25.25 27.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.274 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 14.6 m-85 -129.86 128.75 42.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.228 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -120.31 125.27 47.64 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.9 0.381 . . . . 0.0 111.923 -172.73 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.42 124.85 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -130.31 119.7 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.29 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 50' ' ' SER . 4.1 t0 -104.59 175.1 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 36.3 mt-30 56.64 34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.397 0.679 . . . . 0.0 110.931 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 61.9 t -63.31 -12.96 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.641 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 123' ' ' GLU . 7.1 tp10 -61.74 -20.07 63.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.212 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 1.5 mppt? -112.33 30.35 7.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 39.8 mt -61.22 134.49 57.05 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.799 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.69 -102.45 2.42 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.877 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.11 -63.71 1.09 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.642 -0.328 . . . . 0.0 111.617 -174.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.55 -37.43 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.315 0.579 . . . . 0.0 110.742 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.41 -37.8 82.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.799 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.41 ' OE1' ' HB ' ' A' ' 131' ' ' ILE . 41.7 mt-30 -64.81 -43.55 92.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.03 92.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.554 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.39 -49.13 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.802 179.257 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.591 HD12 HD21 ' A' ' 135' ' ' LEU . 2.5 tm? -54.87 -45.21 74.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.713 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -52.86 -45.15 67.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.835 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 t -68.7 -41.12 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.94 -51.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.446 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -61.51 -42.87 99.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.766 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.54 -47.5 83.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.796 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.53 -40.67 85.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.533 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -66.76 -34.78 78.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.124 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 107' ' ' PHE . 33.0 mtm180 -72.78 -30.77 64.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.012 0.434 . . . . 0.0 111.244 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -77.34 -45.24 26.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.992 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -70.87 -35.71 72.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.58 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.76 -13.89 63.12 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 75.2 tttt -125.95 175.04 7.98 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' TYR . . . 130.73 -16.6 5.32 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 19.5 m-85 42.36 86.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.281 1.033 . . . . 0.0 112.615 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -95.13 123.77 38.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.543 0.687 . . . . 0.0 110.487 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.521 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.0 tp -118.99 115.78 25.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.57 141.05 48.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -140.29 143.27 13.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.669 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.1 p -150.24 -163.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 93' ' ' GLU . 11.9 pt-20 -119.76 -23.22 6.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -170.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 125' ' ' THR . 28.2 m-85 -105.22 -85.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.894 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -172.68 159.71 3.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.198 0.599 . . . . 0.0 109.734 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.685 ' HD3' ' CE2' ' A' ' 40' ' ' TYR . 37.0 Cg_endo -65.19 -27.53 56.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.59 2.193 . . . . 0.0 112.424 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.31 -5.12 59.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.112 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -104.93 -2.33 24.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.03 133.4 48.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.411 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.02 85.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.374 0.607 . . . . 0.0 109.856 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.41 ' HB ' ' OE1' ' A' ' 100' ' ' GLN . 30.9 pt -142.53 -174.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 132' ' ' ARG . 11.7 mmt180 -56.26 130.72 45.62 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 110.701 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.3 pm0 -70.01 -29.88 67.06 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.983 -174.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 6.1 p-10 -73.5 -29.11 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.255 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 103' ' ' LEU . 5.6 tt -81.34 -41.3 22.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.68 -22.78 66.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.121 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 p -78.55 -28.91 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 32.5 mmt180 -72.28 -15.11 61.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.032 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.94 -17.33 61.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.67 4.24 8.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -87.43 12.39 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.16 159.83 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 143' ' ' LEU . 6.3 mp -81.93 154.72 25.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.95 114.98 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 36.7 m-85 -118.12 144.38 45.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.143 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 121.285 0.565 . . . . 0.0 110.669 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG2' ' H ' ' A' ' 35' ' ' HIS . 80.3 tttt . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 120.626 0.25 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.84 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -169.2 -171.87 1.39 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.128 0.571 . . . . 0.0 109.782 174.395 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.55 177.38 17.47 Favored Glycine 0 C--N 1.333 0.378 0 O-C-N 123.562 0.539 . . . . 0.0 114.064 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.4 mt-30 -71.26 -76.38 0.11 Allowed 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -94.77 103.15 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.448 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.44 HG22 HG13 ' A' ' 41' ' ' VAL . 70.1 mt -135.52 132.95 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 111.243 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 126' ' ' PRO . 52.2 t80 -106.05 122.56 46.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.434 172.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 HG22 ' A' ' 39' ' ' ILE . 11.0 m -123.39 110.73 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.265 0.555 . . . . 0.0 111.459 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 9.7 p-90 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 41.0 p-80 -59.94 -30.56 69.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 tp -71.4 -29.43 64.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.897 0.38 . . . . 0.0 110.904 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' HB1' ' A' ' 88' ' ' ALA . 7.8 mp -73.73 -34.28 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.831 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 13.6 pt20 -62.92 -35.92 81.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.299 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.78 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.7 t90 -84.72 -41.38 16.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.226 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.9 t -69.55 -51.18 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.802 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.91 81.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.598 -174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -68.51 -42.02 79.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.38 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' HB3' ' A' ' 67' ' ' ALA . 24.2 mt -60.52 -50.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.381 178.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -78.05 -11.01 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.174 0.512 . . . . 0.0 111.159 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.93 -10.61 59.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.99 8.46 47.86 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.871 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -110.12 154.49 23.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 37.8 t30 -82.6 133.3 35.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.786 0.327 . . . . 0.0 110.216 -176.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . . . -151.96 148.36 27.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.66 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 47.7 p90 -119.06 139.6 51.47 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -136.33 121.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.124 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -106.76 109.79 21.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.843 0.83 . . . . 0.0 108.807 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.87 -32.46 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 113.981 -1.463 . . . . 0.0 114.227 -166.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.19 0.0 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.06 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.8 t -128.73 -28.58 2.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.097 0.475 . . . . 0.0 110.54 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.3 mtm -133.55 142.94 45.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.232 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.26 152.83 18.37 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 tp -88.04 143.4 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.348 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 p -135.11 160.13 39.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.907 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HD2' ' A' ' 82' ' ' PHE . 5.4 p-10 -73.2 -12.46 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.428 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.55 67.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.033 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.69 -22.52 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.143 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HD2' ' O ' ' A' ' 79' ' ' ASP . 76.7 m-85 -68.36 -13.13 62.06 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.03 -23.85 48.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.365 0.602 . . . . 0.0 111.125 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -91.05 148.51 22.34 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.539 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -92.65 -27.69 17.14 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.392 0.615 . . . . 0.0 109.784 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 8.3 m-85 -111.5 108.81 18.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.157 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.752 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -115.55 124.99 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 0.0 110.965 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -114.5 109.36 18.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.885 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -111.85 117.67 55.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.124 0.487 . . . . 0.0 110.432 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -101.51 154.52 18.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 94' ' ' LYS . 3.5 pt20 44.31 60.3 2.87 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.233 0.958 . . . . 0.0 112.359 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.905 HG21 HD22 ' A' ' 120' ' ' LEU . 43.0 t -67.17 -25.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.682 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.949 ' HB3' HD22 ' A' ' 129' ' ' LEU . 8.4 pt-20 -65.9 -10.63 40.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.67 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 58.8 mmtt -112.05 11.5 20.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.589 -175.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.63 142.87 57.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.592 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.24 69.3 2.6 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.285 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.422 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 13.8 t30 59.1 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' OE2' ' HB3' ' A' ' 97' ' ' ASN . 2.6 mp0 -55.37 -37.5 67.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.24 -28.21 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.922 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.27 -37.31 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.759 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.59 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.149 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.11 -47.41 80.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.08 -45.61 75.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.325 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HA ' HD21 ' A' ' 135' ' ' LEU . 61.0 t80 -55.39 -45.7 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 m -59.45 -37.12 77.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.091 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.36 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.569 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.73 -42.84 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.66 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 10.6 t30 -63.65 -41.63 98.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.31 -39.51 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.8 m-30 -72.21 -55.0 7.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.354 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 111' ' ' ARG . 4.4 mmp_? -68.91 -18.71 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.561 -174.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -67.87 -40.98 83.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.953 -178.836 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 p -96.01 -33.64 12.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.61 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -89.43 -164.35 1.14 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.989 -0.606 . . . . 0.0 110.628 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.482 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 106.14 121.84 4.88 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.142 173.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.501 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 85.1 m-85 -111.99 112.53 24.23 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.724 HD23 ' HE2' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -130.03 123.93 31.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.308 0.575 . . . . 0.0 110.347 -172.113 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.1 tp -121.33 114.05 20.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.628 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.905 HD22 HG21 ' A' ' 92' ' ' VAL . 97.4 mt -101.31 131.75 47.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.64 -106.41 1.49 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.405 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 71.22 -176.21 0.19 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.843 0.457 . . . . 0.0 110.759 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -114.82 -19.24 11.09 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -118.68 -87.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.515 -0.874 . . . . 0.0 113.059 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.732 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -159.0 152.57 19.07 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.757 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 36.9 Cg_endo -66.37 -36.33 27.77 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.444 2.096 . . . . 0.0 113.156 -172.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -91.53 -8.94 46.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.112 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -108.13 -2.71 19.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 93' ' ' GLU . 74.2 mt -63.86 165.96 7.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.46 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.86 81.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.724 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.6 pt -135.16 168.38 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.383 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -92.18 171.27 9.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.233 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.91 -32.85 72.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.796 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 15.1 m-20 -56.87 -38.78 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.731 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 104' ' ' PHE . 16.7 mt -82.1 -40.27 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -57.1 -36.0 70.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.9 p -70.47 -41.07 73.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 26.8 mmt180 -73.89 -24.46 59.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 25.1 mmt -65.7 -18.14 65.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 111.138 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.0 -2.85 32.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.441 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 78.7 m-85 -100.39 11.8 38.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.1 p -122.57 154.08 38.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.0 110.085 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.03 154.02 22.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.65 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.11 116.69 52.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.097 0.475 . . . . 0.0 109.757 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -113.18 118.95 36.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.742 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.314 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 87.6 m-70 -122.36 -169.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.794 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.49 -162.02 20.13 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.468 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 34.9 tt0 -82.71 -64.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.192 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -116.16 106.9 14.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.205 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.7 mt -137.28 137.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.992 0.425 . . . . 0.0 111.393 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' TRP . 68.8 t80 -113.35 130.32 56.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.879 171.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.475 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.5 m -114.61 137.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.136 175.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.403 ' HB3' ' HE2' ' A' ' 40' ' ' TYR . 27.5 p-90 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -63.04 -60.02 4.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.315 0.507 . . . . 0.0 111.284 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.02 -24.91 47.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.008 0.433 . . . . 0.0 110.649 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' SER . 5.8 mp -69.98 -44.82 68.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.577 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.98 -36.56 82.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.96 97.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HD1' ' H ' ' A' ' 35' ' ' HIS . 57.2 t90 -59.3 -45.03 92.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.414 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 69' ' ' TYR . 76.0 t -65.69 -48.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.476 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.28 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.79 -38.99 90.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.099 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.75 87.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.809 0.338 . . . . 0.0 110.435 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.62 -49.18 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.378 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.03 -11.43 59.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.172 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.5 -1.97 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.3 8.68 64.16 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.385 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -106.71 161.72 14.41 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 58.4 t30 -89.39 133.77 34.37 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.08 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -148.79 155.78 41.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -177.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.06 138.37 17.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.59 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.7 p90 -108.97 130.38 55.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.65 113.64 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.215 0.531 . . . . 0.0 110.135 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 17.9 m-20 -97.21 110.29 22.87 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.45 -25.19 49.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.25 33.54 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 42.2 t -156.88 -39.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.862 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.5 mtm -137.88 143.95 42.1 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.188 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.39 156.57 14.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.343 2.028 . . . . 0.0 112.392 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -75.21 143.51 43.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.561 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.17 163.63 32.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -174.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.09 -21.3 62.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.023 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.33 -24.8 57.39 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.341 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.79 -25.35 66.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.01 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.66 -18.64 65.48 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.38 -18.45 36.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.184 0.516 . . . . 0.0 111.509 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -82.8 142.83 31.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.136 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -85.59 -35.1 21.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.73 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 10.9 m-85 -110.66 113.37 25.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.116 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.71 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.4 mm? -112.79 126.78 55.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.926 0.393 . . . . 0.0 111.275 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.68 124.23 42.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.04 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.24 114.81 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -91.62 132.12 36.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.75 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.729 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 45.7 mt-30 62.22 41.79 10.17 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.568 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.56 -23.72 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.811 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.597 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 1.2 pt-20 -67.35 -18.32 65.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.775 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.729 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 21.6 mmmt -79.52 -8.86 59.44 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.705 0.288 . . . . 0.0 111.224 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -71.11 141.12 50.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.48 -125.35 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.129 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -96.16 -53.34 3.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.048 0.451 . . . . 0.0 111.022 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.66 -36.34 83.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.687 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 3.1 mp0 -65.16 -42.36 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.72 -18.36 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.754 0.311 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 132' ' ' ARG . . . -76.35 -42.03 46.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.642 173.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.8 -50.43 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.806 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -57.23 -46.06 83.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.768 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.02 -43.96 78.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 m -59.88 -36.23 76.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.943 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 61.9 mt -61.93 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.3 -48.06 81.7 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.6 t30 -59.62 -48.52 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -57.27 -48.56 78.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.952 0.406 . . . . 0.0 110.886 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 118' ' ' LEU . 10.7 m-30 -67.22 -51.06 57.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.667 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.65 -27.8 65.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.106 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -66.57 -40.0 88.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.231 0.539 . . . . 0.0 110.719 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -93.46 -23.58 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.115 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.61 18.39 66.14 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -124.37 174.37 7.79 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -173.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.17 150.33 12.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.478 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 38.8 m-85 -122.4 138.94 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.89 124.47 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 0.0 110.715 -176.559 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 51.7 tp -121.44 116.39 24.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.47 177.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 118' ' ' LEU . 77.5 mt -114.53 141.54 47.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -148.35 131.74 3.91 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.607 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 54.1 m -153.21 -87.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' SER . 15.1 pt-20 174.39 -171.4 0.05 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.203 0.315 . . . . 0.0 110.598 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 125' ' ' THR . 28.5 m-85 62.38 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.551 0.741 . . . . 0.0 111.556 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.2 OUTLIER 174.4 155.46 0.31 Allowed Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 124.367 1.067 . . . . 0.0 109.055 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.4 Cg_exo -59.19 -24.78 75.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.55 2.167 . . . . 0.0 112.732 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -98.72 3.39 47.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.071 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -109.28 -29.16 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.201 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 125' ' ' THR . 94.5 mt -56.23 134.82 53.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.539 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -87.89 86.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.176 0.512 . . . . 0.0 110.01 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.2 pt -136.99 176.33 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.953 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 101' ' ' ALA . 15.5 ttp180 -59.82 126.28 26.95 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 136' ' ' ARG . 10.8 pt-20 -62.3 -23.43 66.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.944 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.44 -30.93 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.231 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 135' ' ' LEU . 7.6 tt -83.39 -35.31 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' MET . 11.4 ttt180 -57.84 -37.98 74.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.248 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.6 p -67.01 -29.73 69.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.304 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.535 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 12.5 mmt180 -76.98 -16.94 59.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.033 0.444 . . . . 0.0 110.224 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 17.8 mmt -65.78 -23.6 66.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.623 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.46 -5.16 54.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.866 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 41.9 m-85 -94.06 6.42 48.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 63.7 m -115.48 147.28 40.81 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.909 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.19 155.57 40.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.1 115.81 49.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.51 162.6 24.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.635 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.087 -179.394 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 tttm . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.495 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 8.3 m-70 -119.32 -165.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.669 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 39' ' ' ILE . . . -61.0 -173.52 1.06 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.618 0.607 . . . . 0.0 114.618 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 51.7 tt0 -91.71 -45.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.429 -0.385 . . . . 0.0 111.124 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 76.9 m-85 -125.54 89.6 3.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 145' ' ' TYR . 39.4 mm -117.94 129.67 73.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.971 0.415 . . . . 0.0 111.329 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 51.9 t80 -116.99 123.45 46.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.6 m -123.78 102.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.423 0.63 . . . . 0.0 111.049 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.6 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 65.0 p-90 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.911 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -55.65 -47.41 76.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.997 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 54.8 tp -75.3 -27.83 59.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.007 0.432 . . . . 0.0 110.634 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 90' ' ' ASP . 24.1 tp -67.21 -42.12 84.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.948 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -72.26 -33.78 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.04 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.32 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.123 0.487 . . . . 0.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.513 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 52.0 t90 -66.31 -34.51 78.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.411 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 69' ' ' TYR . 85.1 t -75.0 -48.98 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.35 85.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.513 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.79 -40.96 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.48 . . . . 0.0 110.025 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.92 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.653 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 81.6 mt -63.68 -47.96 79.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.627 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -77.46 -9.5 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.256 0.55 . . . . 0.0 110.783 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.25 60.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.152 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . 98.24 17.23 30.06 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.206 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 12.8 mptt -109.96 -176.25 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.085 0.469 . . . . 0.0 111.007 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 33.0 t-20 -101.01 133.26 45.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.158 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -156.48 147.08 21.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.04 17.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.619 ' HB3' HG21 ' A' ' 57' ' ' VAL . 52.0 p90 -115.63 137.71 51.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.455 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 73.2 mt -125.58 122.22 61.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.225 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 5.8 m-20 -88.21 106.45 18.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.43 -18.3 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -173.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.42 19.03 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.733 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 47.0 t -144.67 -36.0 0.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 68.0 mtm -130.69 144.87 55.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.624 -175.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.49 179.38 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.765 2.31 . . . . 0.0 112.59 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 99' ' ' GLU . 58.0 tp -99.51 144.45 28.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -127.1 155.92 42.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.065 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -26.23 67.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.988 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.52 59.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -24.14 60.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.155 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.94 -28.02 30.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.582 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -70.43 139.9 51.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.361 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.01 -25.42 18.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.276 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 35.6 m-85 -112.65 107.48 16.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.241 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.472 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -109.0 120.4 42.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 0.0 111.221 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -121.15 113.64 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.117 177.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.5 t -126.81 126.17 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 53' ' ' LEU . 34.2 t0 -105.96 162.94 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.831 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 61.94 36.77 15.54 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.719 0.637 . . . . 0.0 111.491 172.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.8 p -67.71 119.14 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 8.5 pt-20 172.71 -32.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.461 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 31.3 mmmt -76.03 -9.95 59.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.688 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.32 132.0 48.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -88.92 1.79 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.878 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -131.48 -54.18 1.02 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.601 0.239 . . . . 0.0 111.135 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.43 -43.64 98.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.331 0.586 . . . . 0.0 110.249 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.8 mp0 -63.91 -40.79 97.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.945 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -69.23 -35.12 75.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.79 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.26 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.08 -49.25 70.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.499 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -56.12 -48.2 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.079 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -54.05 -44.15 70.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.728 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -62.61 -34.48 77.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.59 -42.37 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 103' ' ' LEU . 31.5 m-85 -61.45 -41.13 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 12.2 t30 -64.86 -28.94 69.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.731 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 109' ' ' ARG . 14.9 ttt180 -75.48 -57.3 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.472 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 12.6 m-30 -62.38 -52.15 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.732 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.573 HH11 ' HG3' ' A' ' 111' ' ' ARG . 14.9 mmt85 -71.22 -17.71 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.663 -174.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.689 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.7 t-20 -60.06 -60.63 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.199 0.523 . . . . 0.0 110.711 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.7 t -97.6 -28.1 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.837 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.41 21.53 9.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.773 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 37.3 ttpt -107.12 173.37 6.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 89.94 147.63 17.61 Favored Glycine 0 C--N 1.313 -0.725 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.163 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 38.1 m-85 -121.65 137.78 54.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.6 tp -138.22 140.51 39.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.36 0.6 . . . . 0.0 110.543 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.496 HD13 ' HB ' ' A' ' 39' ' ' ILE . 50.0 tp -143.95 114.8 7.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.579 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 80.4 mt -121.81 145.53 47.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.25 169.74 23.24 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.204 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.1 m 75.2 176.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.665 0.786 . . . . 0.0 112.131 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 13.9 mm-40 64.66 -164.01 0.25 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.926 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -107.75 -164.26 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.477 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.5 p -67.95 153.69 94.87 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.38 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 129' ' ' LEU . 36.2 Cg_exo -59.43 -22.65 66.97 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.989 2.46 . . . . 0.0 112.333 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.42 -25.73 65.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.207 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.43 1.73 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.754 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 126' ' ' PRO . 61.2 mt -73.58 133.79 43.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.876 0.37 . . . . 0.0 111.135 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.12 91.12 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.39 0.614 . . . . 0.0 110.156 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HD22 ' A' ' 135' ' ' LEU . 21.0 pt -143.16 -174.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.168 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.617 ' HD2' ' OD2' ' A' ' 134' ' ' ASP . 4.7 tpp85 -54.38 123.16 12.11 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 171.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.84 -20.75 64.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.111 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.617 ' OD2' ' HD2' ' A' ' 132' ' ' ARG . 10.0 m-20 -69.24 -35.13 75.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 103' ' ' LEU . 6.3 tt -82.35 -35.67 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.949 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -55.4 -38.23 68.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.065 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 3.1 p -70.6 -35.19 72.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.908 0.385 . . . . 0.0 111.16 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -68.92 -18.28 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.169 0.509 . . . . 0.0 110.537 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 87.0 mmm -77.65 -18.61 56.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.408 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.68 -0.24 54.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.985 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.517 ' HB2' ' NH1' ' A' ' 111' ' ' ARG . 85.4 m-85 -92.7 -2.93 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.15 173.93 6.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 110.966 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.83 153.87 21.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.112 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -129.61 118.58 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.269 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' A' ' 39' ' ' ILE . 18.6 m-85 -103.16 120.07 40.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.649 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HB2' ' CD1' ' A' ' 56' ' ' TRP . 19.3 pttm . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -152.88 115.12 4.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.34 -169.22 54.81 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.378 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.605 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 73.8 mt-30 -110.04 -58.97 1.99 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.047 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' CD2' ' A' ' 110' ' ' PHE . 75.2 m-85 -104.86 93.04 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 42.9 mm -119.21 126.15 75.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.998 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -109.11 124.22 50.45 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.63 135.6 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 0.0 111.464 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 4.4 p-90 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.6 ' HA ' HD13 ' A' ' 53' ' ' LEU . 6.9 m . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -61.19 -36.34 79.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.439 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.0 -26.66 60.56 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.637 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.9 mp -66.66 -39.83 88.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.187 0.518 . . . . 0.0 109.739 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.53 -45.43 94.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.501 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.28 98.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.384 0.611 . . . . 0.0 111.13 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 72.8 t90 -60.1 -39.35 85.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.528 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 69' ' ' TYR . 73.2 t -72.91 -45.76 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.029 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.2 91.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.227 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 61.0 tp60 -57.89 -44.97 87.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.196 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' CD2' ' A' ' 86' ' ' TYR . . . -63.83 -41.25 97.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.27 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.1 mt -58.85 -42.6 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.055 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.83 -27.35 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.207 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.067 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.45 23.95 41.54 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.16 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -121.28 158.54 27.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 50.8 t30 -83.71 134.27 34.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -174.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.1 144.93 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.286 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.07 36.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.999 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 57' ' ' VAL . 89.6 t80 -104.98 107.74 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.27 125.56 73.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.178 0.514 . . . . 0.0 111.636 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.58 100.0 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -60.17 -21.55 61.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -171.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HB2' ' HG3' ' A' ' 94' ' ' LYS . . . -88.17 -2.8 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -132.66 -23.73 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 111.158 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mtm -132.11 143.74 50.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.06 152.85 16.56 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.34 2.027 . . . . 0.0 113.273 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.5 tp -82.17 143.63 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.09 158.87 43.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -177.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -63.91 -16.24 60.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.04 0.448 . . . . 0.0 110.623 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.33 -24.37 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.311 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.1 -23.8 49.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.227 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.38 -12.78 61.64 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.19 -22.87 51.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.282 0.563 . . . . 0.0 110.775 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -94.15 139.45 30.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.203 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -82.09 -33.19 29.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.154 174.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 9.7 m-85 -106.32 115.99 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.678 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.628 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -113.22 116.95 30.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.91 117.49 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.61 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.08 123.87 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.34 141.86 34.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 25.0 mt-30 68.12 60.08 0.42 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 110.89 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 120' ' ' LEU . 41.3 t -70.26 -22.94 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.684 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.66 -15.14 57.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.088 0.471 . . . . 0.0 111.12 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 29.7 mmmt -82.91 -1.0 51.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.4 144.03 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.412 . . . . 0.0 111.105 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.63 -76.01 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.455 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -157.29 -51.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.386 -0.479 . . . . 0.0 111.458 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.73 -34.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 109.803 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.1 -35.34 80.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.512 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -68.46 -38.55 81.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.57 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.329 0.585 . . . . 0.0 110.177 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.69 -51.6 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.444 177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -57.22 -44.67 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -52.65 -45.37 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.104 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -66.16 -33.92 76.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.083 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 103' ' ' LEU . 69.2 mt -61.84 -44.42 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.608 ' HZ ' ' HE3' ' A' ' 139' ' ' MET . 11.0 m-85 -58.95 -42.99 91.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.659 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 50.3 t30 -57.94 -48.22 80.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.136 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.58 -44.27 80.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.628 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.4 m-30 -61.57 -56.5 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 111.264 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -75.72 -18.43 59.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.159 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.659 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.3 t-20 -70.23 -49.69 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 0.0 110.359 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.3 m -84.39 -30.96 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.354 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 98.24 29.28 7.62 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -132.86 -164.15 1.44 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 114.573 -0.814 . . . . 0.0 109.745 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.434 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 101.45 127.42 6.09 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.195 -1.002 . . . . 0.0 113.682 173.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.605 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 57.7 m-85 -118.73 126.36 51.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 24.4 tp -133.16 141.13 47.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.144 0.497 . . . . 0.0 110.953 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.569 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 55.2 tp -145.32 103.09 3.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.328 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 92' ' ' VAL . 89.5 mt -115.84 143.94 44.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.643 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.65 132.25 6.39 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.6 t -151.94 36.74 0.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.977 0.389 . . . . 0.0 110.459 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 53.85 -48.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.042 1.737 . . . . 0.0 115.075 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.8 -179.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 118.31 0.504 . . . . 0.0 110.357 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -89.15 161.19 41.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.115 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.422 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.0 Cg_exo -60.36 -27.5 84.98 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.884 2.389 . . . . 0.0 112.545 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.29 4.56 53.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -106.39 -29.17 9.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 146.29 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.35 80.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.391 0.615 . . . . 0.0 109.801 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.3 pt -115.52 -176.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.523 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -67.16 131.92 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 136' ' ' ARG . 14.9 tt0 -62.22 -20.45 64.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -173.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.35 -41.61 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.253 0.549 . . . . 0.0 110.417 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.05 -32.48 39.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.538 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HB3' ' HA ' ' A' ' 133' ' ' GLU . 66.0 ttt-85 -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.48 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 t -67.91 -28.15 67.25 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.957 0.408 . . . . 0.0 110.758 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 22.1 mmt180 -73.76 -28.86 61.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.384 176.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.608 ' HE3' ' HZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -61.98 -20.89 64.35 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.735 -178.47 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.96 -3.83 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.64 2.15 51.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.03 150.72 38.82 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.699 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.04 154.62 28.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.581 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.15 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.022 0.439 . . . . 0.0 110.291 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -117.04 126.91 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.841 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HA ' ' HD1' ' A' ' 56' ' ' TRP . 17.2 ptpt . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.56 -35.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.432 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -159.95 25.79 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.325 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 59.7 tt0 -98.89 -48.55 4.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.773 0.321 . . . . 0.0 110.657 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -123.42 92.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 HG22 HG13 ' A' ' 41' ' ' VAL . 50.4 mm -121.83 124.9 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.168 0.508 . . . . 0.0 111.32 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 41.8 t80 -108.04 115.03 29.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.031 172.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 145' ' ' TYR . 3.0 m -123.88 102.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.345 0.593 . . . . 0.0 110.499 -178.831 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.224 0.535 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -68.89 -53.7 19.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.889 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.6 -26.84 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.874 0.369 . . . . 0.0 110.485 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 119' ' ' LEU . 36.9 tp -66.99 -51.38 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.44 -33.94 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 110.571 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.24 -30.38 68.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.701 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.638 ' HD1' ' HA ' ' A' ' 34' ' ' LYS . 70.8 t90 -79.97 -41.62 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.427 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 69' ' ' TYR . 46.3 t -59.87 -51.53 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.107 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -64.35 -30.15 71.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.974 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -64.51 -40.75 96.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.17 61.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.2 mt -63.85 -49.11 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.168 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.78 -12.72 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.075 0.464 . . . . 0.0 111.089 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.521 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.18 60.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.292 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -95.82 179.53 5.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -105.53 133.26 50.57 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.15 141.85 27.89 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.544 -176.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.83 129.88 30.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.605 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' HG21 ' A' ' 57' ' ' VAL . 45.7 p90 -109.97 128.25 55.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.68 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.8 mt -125.79 127.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.193 0.52 . . . . 0.0 111.108 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 10.1 t70 -101.48 106.31 17.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.42 63.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.1 11.67 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.354 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -135.07 -37.87 0.79 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.3 0.572 . . . . 0.0 110.219 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.5 mtm -138.61 143.95 40.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.478 -176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.88 160.84 18.63 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.323 2.015 . . . . 0.0 111.66 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 102' ' ' LEU . 47.9 tp -73.41 142.8 46.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 p -130.14 160.25 34.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.37 0.605 . . . . 0.0 111.889 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.58 -22.62 66.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.303 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.0 65.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.494 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.27 -18.16 47.25 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 45.1 m-85 -75.67 -13.72 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.609 0.242 . . . . 0.0 111.547 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.65 -23.87 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.663 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.21 141.16 31.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -86.03 -37.29 19.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.417 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 9.1 m-85 -107.65 114.11 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.052 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.775 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -110.54 133.81 52.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.467 . . . . 0.0 111.273 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.4 113.44 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.7 t -111.02 127.51 68.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 19.0 t70 -106.77 126.08 51.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.724 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 43.6 mt-30 72.67 109.49 0.07 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.051 0.844 . . . . 0.0 111.562 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.1 -28.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.192 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.01 -26.64 68.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 22.7 mmmt -81.52 -8.6 59.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.889 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -74.36 134.56 42.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.39 -118.28 0.9 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.113 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -106.15 -55.18 2.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.832 0.316 . . . . 0.0 110.964 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.47 -42.55 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.799 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.498 ' HB3' HD22 ' A' ' 95' ' ' LEU . 2.0 mp0 -59.8 -42.46 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.145 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.65 -36.95 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.901 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.43 83.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.49 -49.03 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.327 177.2 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HD11 ' A' ' 135' ' ' LEU . 0.6 OUTLIER -56.52 -44.92 81.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.17 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.3 -44.51 68.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.878 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.426 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 2.5 t -68.32 -32.42 72.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.261 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 103' ' ' LEU . 72.4 mt -62.87 -45.56 98.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.34 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -59.93 -40.14 87.89 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.576 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.628 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 8.4 t30 -58.82 -47.79 83.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.758 177.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 109' ' ' ARG . 13.4 ttp180 -60.24 -46.72 88.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.674 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.775 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -65.85 -50.02 66.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.562 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 111' ' ' ARG . 4.2 tpm_? -68.73 -35.28 76.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.731 0.3 . . . . 0.0 111.218 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.628 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 t-20 -71.64 -41.23 69.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.121 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.5 m -85.69 -22.38 27.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.63 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 19.07 79.1 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -134.84 174.61 10.39 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 93.02 152.33 29.06 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 67.9 m-85 -125.79 140.44 52.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.775 0.322 . . . . 0.0 110.629 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.7 tp -139.35 139.47 37.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.323 0.582 . . . . 0.0 110.396 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 53' ' ' LEU . 53.2 tp -134.52 123.64 24.24 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.221 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.1 mt -123.1 113.27 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.36 -54.1 2.92 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.5 m 65.53 -159.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.903 -0.649 . . . . 0.0 111.969 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -122.84 -32.49 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.124 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 85.2 m-85 -133.87 -87.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -163.34 153.87 13.73 Favored Pre-proline 0 N--CA 1.466 0.364 0 C-N-CA 122.297 0.239 . . . . 0.0 110.385 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.577 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 14.7 Cg_exo -67.67 -29.52 36.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.678 2.252 . . . . 0.0 112.632 -174.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.74 -15.98 27.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.681 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -102.76 -23.11 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.362 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 125' ' ' THR . 61.0 mt -60.61 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.015 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.8 77.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.72 0.771 . . . . 0.0 109.517 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.7 pt -119.22 -173.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.444 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -61.69 133.42 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.239 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.23 -24.77 60.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.499 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -73.14 -34.22 65.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 103' ' ' LEU . 41.7 tp -83.02 -47.42 11.73 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -61.12 -23.32 65.43 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 p -75.66 -28.55 58.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.949 0.404 . . . . 0.0 110.973 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -77.74 -16.55 58.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.419 0.628 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 25.8 mmt -67.77 -18.73 64.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.692 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.54 -12.57 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.897 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -81.5 -1.14 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.958 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.71 151.78 25.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.33 154.55 27.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.591 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.86 123.55 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.85 0.357 . . . . 0.0 110.631 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.5 ' HB2' HG12 ' A' ' 41' ' ' VAL . 97.9 m-85 -126.36 136.22 52.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.716 175.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.236 0.364 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.369 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG2' ' CD ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -136.67 178.75 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 -170.48 4.67 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 123.444 0.465 . . . . 0.0 114.241 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 49.3 mt-30 -66.91 -85.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 97.2 m-85 -85.8 99.97 11.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.447 -175.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 145' ' ' TYR . 45.8 mm -129.29 128.43 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -174.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.67 129.39 56.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.424 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 145' ' ' TYR . 30.4 m -121.81 145.4 28.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.647 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.7 m0 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.084 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -54.88 -33.11 61.6 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -172.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 tp -76.11 -45.42 33.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.002 0.43 . . . . 0.0 110.961 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.4 mp -73.45 -35.78 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.542 -175.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.98 89.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 49.8 t90 -74.19 -34.86 63.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.768 -175.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 69' ' ' TYR . 44.2 t -72.16 -44.87 64.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.203 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.03 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.614 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.95 -29.25 66.33 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.853 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.01 73.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 110.132 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.0 -44.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.681 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.16 -14.65 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.918 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.47 1.4 48.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.974 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.81 29.74 57.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.747 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -123.06 155.33 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 29.8 t-20 -80.82 133.67 35.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -154.95 142.86 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.31 138.14 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.607 ' HB3' HG21 ' A' ' 57' ' ' VAL . 13.1 p90 -114.26 132.04 56.28 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -128.37 120.14 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.09 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 74' ' ' SER . 10.1 p-10 -98.82 113.32 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -69.18 6.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.472 -173.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.92 -18.14 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 33.8 t -134.06 -15.6 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.276 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.516 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 71.6 mtm -138.51 144.02 40.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.578 0.227 . . . . 0.0 110.765 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 23.2 Cg_endo -90.82 158.25 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.081 2.521 . . . . 0.0 112.139 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 102' ' ' LEU . 41.7 tp -79.25 144.03 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -130.01 166.63 19.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.936 0.398 . . . . 0.0 111.164 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -73.96 -17.97 60.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -25.24 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.486 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.94 -25.71 58.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.252 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -69.93 -12.73 61.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.8 -25.63 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 111.023 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -86.12 151.97 23.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.686 -172.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -90.71 -35.83 14.68 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 14.6 m-85 -107.91 113.73 27.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.587 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -118.67 121.94 41.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.74 119.8 33.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.417 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.0 t -111.04 114.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.163 0.506 . . . . 0.0 110.177 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -93.25 131.44 38.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.112 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' A' ' 122' ' ' SER . 1.9 mp0 61.85 78.51 0.29 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.728 0.411 . . . . 0.0 111.045 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.485 HG12 ' OG ' ' A' ' 122' ' ' SER . 14.5 p -79.1 -19.16 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 109.796 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.635 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 7.9 pt-20 -61.04 -19.22 61.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.379 176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.635 ' HD3' ' HG3' ' A' ' 93' ' ' GLU . 7.8 mptt -93.92 7.75 43.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -174.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 99' ' ' GLU . 77.1 mt -86.61 134.5 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.55 -87.63 1.68 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.292 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -105.88 -81.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.694 -172.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.13 -34.15 77.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.961 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.0 mp0 -65.8 -41.1 92.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.757 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 131' ' ' ILE . 22.7 tt0 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.13 -178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.86 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -67.0 -48.4 68.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.433 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 1.4 tm? -55.11 -45.88 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.45 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.74 -43.05 85.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.852 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.3 t -61.56 -38.14 86.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.353 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 102' ' ' LEU . 66.2 mt -59.26 -47.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.652 176.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -56.6 -45.39 81.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.788 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.7 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.9 t30 -60.59 -51.2 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.36 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -53.73 -45.91 70.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.545 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.587 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -73.59 -54.99 6.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.943 -176.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -65.49 -25.02 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.334 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.7 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.8 t-20 -75.2 -28.16 59.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 0.0 110.634 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 t -95.3 -43.76 7.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 -29.49 5.69 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -82.65 -165.05 0.95 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.979 -0.61 . . . . 0.0 110.601 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 96.87 128.76 5.96 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 56.6 m-85 -114.01 115.94 28.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -122.42 131.99 54.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.419 . . . . 0.0 110.225 -173.257 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 62.9 tp -134.34 120.95 20.53 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.714 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 98.9 mt -118.79 138.34 52.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -149.93 114.32 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.264 -0.97 . . . . 0.0 113.16 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.813 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 11.4 p 179.6 -171.15 0.15 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.264 0.625 . . . . 0.0 109.88 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 44.12 -163.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.335 1.022 . . . . 0.0 112.996 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -107.34 -33.52 7.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.53 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 1.1 p -158.34 155.33 25.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 129' ' ' LEU . 36.2 Cg_endo -66.46 -15.32 47.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -67.93 -21.44 65.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.501 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 125' ' ' THR . 3.2 pt20 -106.87 8.21 30.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 92' ' ' VAL . 10.4 mt -71.61 137.32 47.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 29.5 t -95.44 77.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.188 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 31.8 pt -132.34 156.55 42.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.272 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 132' ' ' ARG . 2.5 tpm_? -62.92 145.27 55.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 24.3 mp0 -61.61 -28.02 69.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 -175.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 19.0 m-20 -70.62 -22.75 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.968 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 139' ' ' MET . 7.2 tt -82.35 -33.61 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -65.43 -33.95 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.722 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.0 p -69.06 -34.84 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.666 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 18.9 mmt180 -69.2 -27.84 65.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.8 mmm -64.82 -21.67 66.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.088 0.471 . . . . 0.0 111.138 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.72 -6.27 51.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.522 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 74.6 m-85 -92.6 8.56 38.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.422 . . . . 0.0 110.12 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 59.2 m -117.6 167.29 11.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.509 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.41 154.29 18.93 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 115.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.991 0.424 . . . . 0.0 110.206 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 39' ' ' ILE . 2.8 m-85 -99.68 118.3 35.89 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.333 0.587 . . . . 0.0 110.656 -179.114 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.435 0.16 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -166.43 123.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.983 0.513 . . . . 0.0 110.065 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.45 174.76 13.77 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.305 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -126.44 -38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.611 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -133.31 81.52 1.94 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.963 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.6 mt -131.47 133.32 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.502 0.668 . . . . 0.0 111.822 -174.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -108.42 121.67 45.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.139 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 26.5 m -112.55 143.51 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.015 0.436 . . . . 0.0 110.511 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 122' ' ' SER . 13.5 p-90 . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.181 0.515 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -68.82 -51.31 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.861 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.57 -26.49 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.34 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -43.83 91.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.233 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.37 -37.06 82.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.507 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.68 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.5 . . . . 0.0 110.304 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 46.0 t90 -65.96 -41.89 90.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.529 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 69' ' ' TYR . 77.4 t -67.21 -46.0 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.073 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.98 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.929 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.31 -34.55 78.24 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.397 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.72 77.82 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.918 0.39 . . . . 0.0 110.203 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 63.6 mt -60.01 -48.01 83.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.982 177.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.61 -16.31 62.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.12 0.91 50.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.755 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.68 9.18 81.71 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.263 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -99.14 159.94 14.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 18.4 t-20 -90.58 133.58 34.99 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -154.17 145.84 23.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 -176.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.65 139.47 21.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.864 0.364 . . . . 0.0 111.271 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.6 p90 -109.32 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.71 125.77 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.39 -173.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.06 109.76 22.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.27 60.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -172.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.82 -41.0 13.56 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -98.39 -27.38 14.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -125.7 144.56 48.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -82.49 153.63 15.81 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.563 2.176 . . . . 0.0 111.942 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 102' ' ' LEU . 27.7 tp -81.92 143.57 31.56 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 165.45 27.19 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.97 -172.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -66.24 -21.22 66.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.351 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.27 -25.12 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.735 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.87 -20.12 64.82 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.093 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -75.46 -14.51 60.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.92 -24.29 35.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.554 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.566 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -84.4 145.04 28.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.701 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -92.17 -33.2 14.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.306 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.428 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.7 m-85 -108.05 109.56 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.984 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.73 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.6 mm? -110.37 123.78 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 0.0 111.352 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.26 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.845 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.39 118.41 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -102.46 136.08 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.834 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 45.0 mt-30 64.08 61.69 0.91 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.713 0.633 . . . . 0.0 111.486 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.36 -30.24 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.781 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 129' ' ' LEU . 11.0 pt-20 -66.95 -19.17 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.623 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -94.8 12.74 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.909 -175.092 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -67.17 153.3 44.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 176.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.39 -81.48 1.6 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.911 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -150.48 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.176 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.37 -35.48 73.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.706 0.765 . . . . 0.0 109.775 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 99' ' ' GLU . 25.8 mp0 -62.04 -33.95 75.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.384 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.8 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.375 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.536 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.11 -47.8 72.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.625 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -55.5 -47.25 76.51 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.6 178.429 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.35 -41.16 84.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.3 m -62.95 -32.9 74.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.888 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.528 HD12 HD22 ' A' ' 103' ' ' LEU . 70.5 mt -63.11 -47.24 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.373 175.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -58.42 -44.28 89.0 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.982 0.42 . . . . 0.0 110.358 174.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 55.6 t30 -56.54 -44.33 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.757 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -62.0 -54.24 44.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.73 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 21.5 m-30 -66.58 -40.88 89.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.552 -174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -66.04 -40.16 90.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.794 0.33 . . . . 0.0 110.724 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.648 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 m-20 -75.12 -38.8 60.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.697 -176.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 t -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 0.0 111.378 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.77 -25.03 26.92 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 116' ' ' GLY . 64.8 tttp -90.73 172.53 8.58 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 115' ' ' LYS . . . 94.48 151.57 28.4 Favored Glycine 0 C--N 1.313 -0.699 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.973 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.403 ' HB3' ' HZ2' ' A' ' 56' ' ' TRP . 58.3 m-85 -128.18 136.04 50.56 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.447 HD13 ' HE2' ' A' ' 110' ' ' PHE . 21.8 tp -129.09 136.42 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.443 0.639 . . . . 0.0 110.732 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.6 tp -131.35 111.9 12.26 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.765 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.82 132.95 52.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.599 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -127.41 148.39 17.47 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.743 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -164.36 175.2 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -99.63 -24.39 14.75 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.539 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -109.4 -173.43 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.607 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 p -95.44 153.67 39.5 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.5 Cg_exo -58.8 -31.05 94.41 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.33 2.687 . . . . 0.0 114.107 -171.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.1 -6.6 59.0 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -128.24 13.61 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.725 0.298 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 93' ' ' GLU . 78.7 mt -70.96 154.88 41.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.303 175.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.67 80.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.19 0.519 . . . . 0.0 110.121 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -139.22 161.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.596 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -80.52 168.6 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 111.333 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 17.0 mp0 -56.18 -56.73 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.034 -168.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.12 -39.82 83.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.469 HD11 HD12 ' A' ' 103' ' ' LEU . 40.2 tp -71.4 -35.1 70.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.114 0.483 . . . . 0.0 110.127 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -61.59 -40.26 94.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.381 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.0 p -72.4 -37.3 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.893 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 9.6 mmt180 -63.36 -33.95 76.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.841 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.249 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.59 -12.17 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.756 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 26.2 m-85 -80.91 -16.02 54.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.468 . . . . 0.0 110.383 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.7 t -90.24 144.14 26.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.482 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.45 156.22 35.33 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.65 116.54 48.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.683 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 83.6 m-85 -131.22 155.71 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.497 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLU . . . . . 0.442 ' HB3' ' NE1' ' A' ' 42' ' ' TRP . 3.6 pt-20 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.199 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.639 0.257 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -126.09 139.0 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.527 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.15 -136.6 48.27 Favored Glycine 0 N--CA 1.454 -0.119 0 O-C-N 123.61 0.569 . . . . 0.0 113.193 173.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 5.7 pt20 -134.51 -85.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.284 0.042 . . . . 0.0 110.928 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 117' ' ' PHE . 98.7 m-85 -73.29 99.38 2.88 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 177.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mm -111.09 122.08 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.636 0.731 . . . . 0.0 110.989 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.721 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 58.2 t80 -125.42 130.34 51.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.322 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.16 117.5 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.024 0.44 . . . . 0.0 110.851 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CD2' HG22 ' A' ' 125' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.658 0.742 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 121.497 0.665 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -61.52 -34.69 75.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.171 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.38 -30.45 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD12 HD23 ' A' ' 119' ' ' LEU . 14.4 tp -64.63 -42.71 95.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.38 -37.2 71.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.578 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 59' ' ' GLN . . . -59.27 -45.51 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.076 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.6 t90 -58.34 -38.97 78.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.277 -177.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 69' ' ' TYR . 59.2 t -63.1 -46.28 96.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.59 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ALA . 76.1 mm-40 -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.119 0.485 . . . . 0.0 110.412 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.69 80.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 82.8 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.53 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.18 -28.58 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.321 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.19 -6.2 50.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.36 26.55 63.39 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.262 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -115.28 158.57 22.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 44.0 t30 -82.48 133.4 35.2 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.235 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.7 129.41 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.597 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.18 138.44 46.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.458 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.9 p90 -117.28 133.78 55.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 77' ' ' LEU . 73.4 mt -127.39 114.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.845 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.935 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 15.4 p-10 -94.13 102.03 14.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.795 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.78 61.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.547 -169.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.75 25.24 7.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.072 0.463 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 28.0 t -158.26 -36.51 0.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 48.1 mtm -126.05 145.23 51.46 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.387 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.19 153.72 41.1 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.214 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 70' ' ' ILE . 36.5 tp -76.15 144.18 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -131.54 153.93 49.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.383 . . . . 0.0 111.144 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.66 -15.45 60.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.892 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.14 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.338 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 87' ' ' LEU . . . -53.27 -24.25 11.04 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -66.96 -13.55 61.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -22.48 63.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.085 0.469 . . . . 0.0 111.111 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -102.13 149.15 24.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.477 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -88.3 -31.66 18.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.581 0.705 . . . . 0.0 109.425 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -99.32 106.77 18.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.609 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.0 mm? -111.98 130.63 55.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.84 26.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.6 125.52 59.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.935 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.2 t70 -100.11 120.36 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.747 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 61.67 94.74 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.774 0.797 . . . . 0.0 111.606 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.07 -25.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.738 -169.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -19.82 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.42 4.6 26.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -173.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.0 145.33 30.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.28 -82.99 0.73 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.77 -54.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.98 -36.57 79.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.91 -29.01 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.334 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -71.73 -35.81 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.055 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.69 77.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 0.0 110.052 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.7 tm? -64.84 -49.55 70.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.009 175.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.87 -45.03 82.76 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.348 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.481 ' HB2' HD13 ' A' ' 135' ' ' LEU . 86.5 t80 -52.0 -47.65 64.83 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.888 175.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -62.77 -35.7 80.69 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.379 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.4 mt -59.53 -49.95 81.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.4 -45.11 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.941 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 66.9 t30 -64.61 -46.2 83.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.766 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -55.68 -48.45 75.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 118' ' ' LEU . 17.2 m-30 -62.24 -44.11 97.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -65.57 -33.45 75.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -70.04 -43.45 71.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 -36.26 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.85 -9.97 58.59 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -137.94 172.96 12.16 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.6 150.16 7.93 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -171.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 24.3 m-85 -116.7 -76.41 0.57 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.354 -174.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 40.0 tp 70.96 142.12 0.05 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.872 0.844 . . . . 0.0 111.406 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 53' ' ' LEU . 66.8 tp -140.67 127.88 21.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.632 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.71 117.46 28.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.968 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.84 70.99 2.82 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -76.87 140.54 40.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.223 0.535 . . . . 0.0 111.611 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -91.15 -14.38 31.23 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.799 -179.721 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -134.23 167.73 20.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 110.82 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 42' ' ' TRP . 22.5 p -76.83 160.27 77.02 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.594 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.07 -17.29 24.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.139 1.892 . . . . 0.0 111.257 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.84 -34.47 69.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.67 -4.66 22.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 125' ' ' THR . 85.0 mt -81.48 132.41 35.32 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.625 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.39 84.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.379 0.609 . . . . 0.0 110.026 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.21 176.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.214 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -73.32 148.94 43.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.56 -27.08 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.79 -176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.28 -41.36 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 104' ' ' PHE . 62.1 tp -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.269 0.557 . . . . 0.0 109.851 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.359 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.4 m -66.94 -39.48 87.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.492 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 16.9 mmt180 -69.22 -14.06 62.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.713 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.55 -18.46 63.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.149 0.499 . . . . 0.0 110.781 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.97 3.79 40.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 23.2 m-85 -93.97 9.58 36.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.323 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.7 p -132.68 158.77 41.47 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.869 0.366 . . . . 0.0 110.699 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.67 154.18 21.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.799 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.721 ' HA ' ' O ' ' A' ' 40' ' ' TYR . 44.4 t -133.92 128.87 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.7 139.68 34.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.868 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 0.0 110.081 -177.867 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' HE1' ' A' ' 56' ' ' TRP . 37.1 ttpt . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.7 m80 66.04 69.33 0.44 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.01 -167.93 24.18 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.535 -0.84 . . . . 0.0 113.27 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.28 -53.48 0.96 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.087 0.47 . . . . 0.0 109.788 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 143' ' ' LEU . 67.6 m-85 -106.54 107.45 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 41' ' ' VAL . 69.3 mt -129.57 120.92 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 38.5 t80 -105.47 120.45 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 170.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.5 m -118.55 128.77 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.05 178.413 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 3.3 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.747 0.308 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -61.43 -38.05 85.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 110.778 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.49 -51.27 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.806 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 6.7 mp -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.118 -171.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.67 -42.04 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.804 0.335 . . . . 0.0 110.705 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.89 89.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 34.3 t90 -61.18 -42.95 99.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.783 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.5 t -67.55 -46.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.761 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.62 76.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.567 0.222 . . . . 0.0 111.249 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -68.27 -38.77 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.103 0.477 . . . . 0.0 110.589 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 65.7 mt -59.01 -48.85 80.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.62 -13.05 60.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 111.391 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.82 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.675 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.29 69.56 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.144 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -112.38 153.98 26.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.7 132.43 38.16 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.96 136.09 22.51 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.088 -173.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.45 17.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.632 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.6 p90 -111.69 125.95 54.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.8 mt -121.22 118.04 54.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.107 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 5.4 p-10 -89.0 120.76 30.7 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -73.74 -2.35 22.97 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.188 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.34 -42.8 16.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.542 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -115.34 -18.4 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.118 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 60.0 mtm -122.1 145.76 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 111.553 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.84 164.05 8.98 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.758 2.306 . . . . 0.0 111.662 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 106' ' ' ILE . 36.1 tp -88.83 144.21 26.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.945 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.6 p -123.38 157.25 33.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 110.69 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.54 -14.76 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.442 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -24.62 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.969 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.77 -19.77 60.01 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.12 -21.99 64.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.861 0.363 . . . . 0.0 111.158 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.84 -25.02 26.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.215 0.531 . . . . 0.0 110.756 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 110.69 19.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.829 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.02 -30.39 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 22.2 m-85 -97.87 93.04 6.12 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 42.3 tp -113.06 134.11 54.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.216 0.531 . . . . 0.0 110.57 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -125.18 126.8 45.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.956 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 58.9 t -120.85 117.28 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.912 0.387 . . . . 0.0 109.99 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 53' ' ' LEU . 12.2 t70 -101.09 130.42 47.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.26 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 40.3 mt-30 57.4 55.75 5.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.189 0.518 . . . . 0.0 111.061 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -56.96 -24.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.275 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.581 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 56.4 mmtt -85.93 -9.98 55.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.879 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 91.0 mt -61.89 139.36 58.38 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.734 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.53 -77.14 0.25 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.222 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.59 -59.89 0.13 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.32 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.9 mp0 -67.15 -32.09 72.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.49 -38.53 84.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.132 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.33 75.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.278 0.561 . . . . 0.0 110.487 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 39.7 tp -67.1 -47.75 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.135 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 135' ' ' LEU . 3.1 tm? -57.9 -44.19 86.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.728 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -52.63 -46.0 66.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -64.9 -41.19 95.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.498 HD12 HD21 ' A' ' 77' ' ' LEU . 70.3 mt -65.4 -44.92 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 178.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -40.71 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.245 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.682 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 59.5 t30 -59.55 -52.24 66.4 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.918 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.479 ' HD3' ' C ' ' A' ' 109' ' ' ARG . 1.1 tmt_? -55.22 -47.2 75.66 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.473 0.483 . . . . 0.0 111.006 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 3.8 m-30 -59.01 -54.59 45.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.459 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 38.6 tpt85 -72.23 -28.71 63.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.986 -176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -64.52 -44.51 90.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.272 178.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.6 t -78.43 -35.5 46.8 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.251 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.73 -28.52 13.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.622 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 79.6 tttt -104.86 171.89 7.08 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 120.21 122.27 2.97 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 69.7 m-85 -98.13 116.82 31.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 87' ' ' LEU . 17.1 tp -125.17 131.55 53.2 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.268 0.556 . . . . 0.0 110.242 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 53' ' ' LEU . 46.6 tp -123.74 109.65 13.95 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.334 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 80.5 mt -108.19 117.74 34.93 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.72 147.59 18.03 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.381 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.2 t -167.07 162.86 15.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.965 0.412 . . . . 0.0 110.119 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 2.3 pm0 -85.01 -21.44 29.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.329 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.406 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 80.7 m-85 -107.9 178.01 4.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.941 0.4 . . . . 0.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 19.2 p -101.03 153.86 37.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.757 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.686 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 58.5 Cg_endo -71.89 -15.02 29.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.754 2.302 . . . . 0.0 111.831 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -75.82 -13.76 60.29 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.865 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -145.62 23.61 1.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.303 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 125' ' ' THR . 59.7 mt -67.86 133.99 50.11 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.39 76.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.1 pt -139.93 -173.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.377 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.24 128.35 36.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.21 -20.42 63.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.096 0.474 . . . . 0.0 109.992 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 9.0 m-20 -58.72 -33.19 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.953 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' A' ' 139' ' ' MET . 19.5 mt -81.26 -43.36 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.89 176.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.88 -42.27 62.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.379 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -66.99 -32.78 74.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.767 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 14.7 mmt180 -75.89 -24.15 55.62 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.324 . . . . 0.0 110.788 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 26.5 mmt -65.85 -18.73 65.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.717 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.53 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.215 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 89.6 m-85 -97.44 10.56 39.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.443 0.64 . . . . 0.0 109.773 176.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.67 152.56 43.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.977 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 11.5 mt -76.84 161.33 28.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.376 0.607 . . . . 0.0 111.52 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.92 116.75 38.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.471 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.544 ' HB2' HG12 ' A' ' 41' ' ' VAL . 92.5 m-85 -119.61 122.54 41.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.399 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.043 176.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.602 0.239 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 p80 174.64 168.21 0.26 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.008 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -177.46 13.41 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.809 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -58.91 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.431 0.616 . . . . 0.0 111.954 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 81.5 m-85 -87.03 114.55 23.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.757 -175.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HE2' ' A' ' 145' ' ' TYR . 50.7 mm -127.43 130.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 111.171 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.38 127.05 52.77 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 145' ' ' TYR . 14.0 m -128.18 112.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.208 0.528 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.653 -176.224 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.421 ' HA ' HD13 ' A' ' 53' ' ' LEU . 38.6 m . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -73.26 -33.31 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 0.0 110.727 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.57 -26.95 68.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.087 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 50' ' ' SER . 6.9 mp -65.29 -38.72 91.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.92 -43.35 96.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.81 96.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.043 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 41.5 t90 -59.42 -44.38 92.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.01 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.3 t -64.92 -46.52 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.526 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.99 82.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.45 -36.59 81.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.54 76.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.142 0.496 . . . . 0.0 110.182 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.503 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.55 -21.73 62.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.8 1.77 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.26 32.18 60.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.552 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -122.05 161.06 23.7 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.573 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 47.7 t30 -86.97 133.05 33.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.8 147.84 25.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.611 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.21 135.53 10.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 43.1 p90 -107.37 131.38 54.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.3 mt -121.91 124.67 71.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.795 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 2.8 m-20 -82.57 106.03 14.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.8 44.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.932 0.396 . . . . 0.0 111.716 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -114.36 39.82 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.487 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 23.1 t -165.68 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.934 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.8 mtm -131.05 144.38 53.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.27 157.94 29.72 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.544 2.163 . . . . 0.0 112.545 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 102' ' ' LEU . 34.8 tp -93.65 143.95 25.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -139.89 157.91 44.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.023 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.69 -14.1 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.3 -25.79 62.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 110.667 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -21.7 61.73 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.843 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.48 -17.81 62.97 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 111.08 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.39 -20.14 34.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.38 0.609 . . . . 0.0 110.497 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -85.69 137.4 32.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.206 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -90.68 -29.5 17.68 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.463 0.649 . . . . 0.0 110.158 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 74.1 m-85 -112.88 100.61 8.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.64 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.58 133.27 49.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.627 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -126.03 122.95 37.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.634 175.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 47.0 t -120.91 124.5 72.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.898 0.38 . . . . 0.0 110.32 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.91 148.96 33.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.493 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 34.4 mt-30 63.58 35.31 11.81 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.7 0.625 . . . . 0.0 110.065 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 11.8 p -65.21 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.956 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.598 ' HA ' HD21 ' A' ' 129' ' ' LEU . 34.2 mm-40 -65.99 -12.42 54.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.193 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -101.19 14.5 31.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 75.1 mt -56.05 134.85 52.84 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.713 0.292 . . . . 0.0 111.28 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.09 -89.79 1.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.968 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -129.27 -70.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.689 -0.301 . . . . 0.0 110.612 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -62.04 -31.65 72.08 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.235 0.541 . . . . 0.0 110.472 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.491 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.8 mp0 -64.06 -40.25 95.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.78 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.16 -45.36 85.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.091 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -67.18 -48.37 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 0.0 109.709 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -54.96 -44.61 74.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.716 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -52.83 -48.95 66.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.287 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -63.12 -34.48 77.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.286 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 102' ' ' LEU . 65.2 mt -62.11 -46.89 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.571 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.558 ' HE1' ' HG ' ' A' ' 118' ' ' LEU . 3.1 m-30 -64.77 -32.86 74.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.023 177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -67.43 -39.51 85.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.29 -44.28 97.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.48 -50.45 72.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.603 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.363 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.11 -41.13 82.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.053 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.7 t -98.71 -26.42 14.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.916 0.388 . . . . 0.0 111.375 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.2 20.31 67.52 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 68.9 tttt -114.0 174.16 6.08 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.075 -0.563 . . . . 0.0 109.516 -174.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.448 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 87.78 166.76 42.78 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.135 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.47 -69.4 0.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HG ' ' HE1' ' A' ' 107' ' ' PHE . 1.4 tm? 75.54 126.7 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.419 1.074 . . . . 0.0 110.039 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 118' ' ' LEU . 59.2 tp -129.1 130.29 46.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.869 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.441 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 95.6 mt -121.91 122.47 39.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.41 . . . . 0.0 111.041 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.95 -103.72 1.15 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 65.06 -154.67 0.28 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.395 0.617 . . . . 0.0 112.069 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 1.1 tm-20 -149.8 166.48 29.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 66.96 -163.23 0.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.276 0.489 . . . . 0.0 109.856 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 p -129.57 152.74 80.2 Favored Pre-proline 0 C--N 1.322 -0.602 0 O-C-N 121.955 -0.466 . . . . 0.0 110.689 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.708 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 38.0 Cg_endo -68.66 -18.39 42.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.576 2.184 . . . . 0.0 111.852 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.83 -19.39 60.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.265 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -90.89 -8.36 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.227 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 93' ' ' GLU . 32.8 mt -68.65 134.11 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 112.236 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.36 82.94 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.822 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 26.1 pt -135.81 -174.36 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.005 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 132' ' ' ARG . 29.3 mmt-85 -54.1 132.06 42.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.17 -38.17 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.42 -38.1 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.565 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -81.51 -37.05 28.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.125 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.2 -27.74 62.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.434 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -34.71 77.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.081 0.467 . . . . 0.0 109.956 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -68.62 -31.77 71.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.538 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 24.8 mmt -67.31 -20.48 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.72 8.42 10.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.736 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.53 -12.19 40.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.522 0.201 . . . . 0.0 111.369 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 28.3 p -87.95 141.76 28.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.1 0.476 . . . . 0.0 110.677 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.72 154.24 28.71 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.214 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.4 t -117.71 116.13 50.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.376 . . . . 0.0 110.329 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.53 ' HB2' HG12 ' A' ' 41' ' ' VAL . 36.2 m-85 -107.42 120.72 42.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.929 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.652 174.254 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttp . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -157.83 -171.34 3.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.266 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.08 -146.95 13.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 44.5 tt0 -92.91 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.33 104.36 14.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -123.6 122.85 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -173.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -111.18 123.15 49.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 145' ' ' TYR . 28.8 m -115.44 133.27 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.129 0.49 . . . . 0.0 109.815 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -175.145 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.62 -26.92 58.22 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.277 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.2 mp -73.27 -49.59 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.568 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -67.59 -34.09 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.437 0.637 . . . . 0.0 110.099 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.09 -48.21 76.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.63 175.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 42.8 t90 -58.1 -35.66 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.392 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 69' ' ' TYR . 79.5 t -69.93 -55.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.272 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -61.04 -38.37 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.942 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -66.43 -40.58 89.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.99 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.346 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 58' ' ' ALA . 79.8 mt -59.76 -46.42 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.934 176.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.43 -26.53 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.24 -7.29 48.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.46 13.04 42.8 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.708 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -107.39 179.23 4.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 64.2 t30 -110.08 134.57 52.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.775 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -150.95 150.42 30.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.58 138.02 19.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.524 ' HB3' HG21 ' A' ' 57' ' ' VAL . 51.0 p90 -104.94 136.16 44.94 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.98 116.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.496 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.15 94.87 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -70.92 -7.03 42.95 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -170.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.96 40.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.077 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -129.9 -15.74 3.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.025 0.441 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 87.3 mtp -123.76 150.95 63.4 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 31.1 Cg_endo -91.84 155.04 3.39 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.935 2.423 . . . . 0.0 111.896 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.92 143.96 29.5 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -133.06 171.13 14.4 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.042 0.449 . . . . 0.0 111.094 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.06 -12.85 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.81 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.38 -26.11 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.862 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.7 m-85 -66.47 -20.2 65.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.694 0.283 . . . . 0.0 111.478 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -82.08 -21.83 36.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.468 . . . . 0.0 111.354 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.498 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -84.17 144.46 28.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.375 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -84.86 -32.91 22.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.866 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 19.5 m-85 -116.39 113.7 23.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.336 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.539 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.5 mm? -110.0 120.85 43.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.872 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 115.68 25.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.886 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.11 123.74 68.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.93 116.05 28.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.422 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.9 mp0 57.62 72.36 0.52 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 -174.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.525 HG12 ' OG ' ' A' ' 122' ' ' SER . 8.0 p -70.23 -17.94 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.036 0.446 . . . . 0.0 111.222 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.3 pm0 -73.6 -7.69 52.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.114 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.0 mmmt -84.25 -3.64 58.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 111.25 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 88.3 mt -75.94 140.5 42.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.664 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.31 -84.83 0.59 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.755 -173.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -129.47 -70.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 111.464 -172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.0 -36.6 84.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.298 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.7 mp0 -60.09 -36.93 78.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.981 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.516 ' OE1' ' HG3' ' A' ' 132' ' ' ARG . 67.7 mt-30 -71.29 -34.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.682 0.277 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.13 72.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 0.0 110.08 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -65.91 -48.72 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.404 176.242 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 135' ' ' LEU . 2.8 tm? -55.07 -45.29 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.884 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.502 ' HD1' ' HG3' ' A' ' 138' ' ' ARG . 42.4 t80 -52.36 -50.57 62.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 174.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.505 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 7.5 t -60.74 -38.36 84.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.746 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 102' ' ' LEU . 76.3 mt -58.12 -52.38 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.8 -43.43 90.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.0 -53.58 51.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.34 -40.86 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.712 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.4 -38.42 87.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.695 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 111' ' ' ARG . 26.4 mmt180 -74.98 -26.13 59.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.547 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.69 -41.99 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -78.73 -40.78 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.053 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.83 -19.33 52.68 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 115' ' ' LYS . 2.3 tmmt? -106.65 173.47 6.3 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.44 144.38 12.52 Favored Glycine 0 C--N 1.32 -0.341 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.619 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 71.5 m-85 -120.46 140.87 50.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.767 0.318 . . . . 0.0 110.715 -175.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -137.87 130.19 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -176.174 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.03 115.39 18.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.927 0.394 . . . . 0.0 109.98 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.53 122.9 49.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.4 105.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.525 ' OG ' HG12 ' A' ' 92' ' ' VAL . 44.6 m -129.12 -179.28 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 124' ' ' TYR . 7.7 tp10 -102.99 112.51 25.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.02 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.46 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 40.1 m-85 72.73 -176.8 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.292 0.637 . . . . 0.0 111.758 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -85.21 155.1 60.45 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.82 -173.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.73 -22.59 62.06 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.505 2.803 . . . . 0.0 113.909 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 -19.08 46.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -92.78 -14.27 28.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 109.925 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 93' ' ' GLU . 96.9 mt -91.48 134.84 34.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.404 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -92.23 89.21 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 0.0 110.23 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.44 -175.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.516 ' HG3' ' OE1' ' A' ' 100' ' ' GLN . 48.2 mtp180 -63.46 132.04 50.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.34 -42.43 77.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.875 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.72 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 30.7 t70 -63.54 -39.67 95.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.46 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 103' ' ' LEU . 58.7 tp -64.91 -35.52 81.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.17 -40.84 95.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.189 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.7 t -76.85 -20.59 56.13 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.828 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 23.8 mmt180 -77.24 -23.5 51.29 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.133 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.68 -20.8 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.84 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.27 -4.74 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -92.69 18.64 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 0.0 111.26 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 28.9 p -136.48 162.83 31.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.03 154.38 22.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -119.25 117.24 53.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.844 0.354 . . . . 0.0 110.139 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.1 m-30 -98.25 123.73 42.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 176.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.828 176.112 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' HD21 ' A' ' 119' ' ' LEU . 4.6 p80 -177.46 -28.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.34 -176.35 19.67 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.043 -1.075 . . . . 0.0 113.057 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 56.0 tt0 -80.28 -77.11 0.2 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.608 0.363 . . . . 0.0 111.933 -176.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.18 99.41 11.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 119' ' ' LEU . 50.6 mm -121.73 124.04 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.14 0.495 . . . . 0.0 111.313 -174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 56.9 t80 -109.98 125.3 52.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.221 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.9 143.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.572 0.701 . . . . 0.0 110.367 179.46 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 53' ' ' LEU . 34.7 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.478 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 7.3 p-80 -64.49 -32.8 74.58 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.959 1.254 . . . . 0.0 111.356 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 53' ' ' LEU . 3.1 pp -76.39 -26.11 55.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.619 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.3 mp -74.46 -47.72 31.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 176.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 51' ' ' HIS . 12.1 pt20 -63.28 -39.18 93.86 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.111 -174.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.78 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.66 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.477 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.1 t90 -69.76 -41.84 74.64 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.646 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 67' ' ' ALA . 72.4 t -62.94 -51.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.867 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.83 85.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.305 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.16 -39.0 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.397 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.76 77.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.598 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.12 -49.37 77.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.91 -7.82 56.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.185 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.12 59.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.267 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.62 24.22 39.88 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.397 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -109.51 159.7 16.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.34 132.35 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -157.7 141.31 15.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.749 -174.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.82 140.75 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' HB3' HG21 ' A' ' 57' ' ' VAL . 50.9 p90 -118.42 132.79 56.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -120.99 128.25 76.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 1.7 m-20 -91.73 109.28 20.59 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.65 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.25 -3.21 34.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 33.4 t -125.98 -29.9 3.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.28 0.562 . . . . 0.0 110.547 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.9 mtm -136.05 144.23 47.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.034 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.38 163.0 17.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.344 2.029 . . . . 0.0 111.616 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 37.0 tp -86.34 144.19 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.2 p -123.84 161.29 25.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -74.84 -18.71 60.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -24.49 66.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.012 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.24 -18.1 56.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.835 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.14 -27.5 69.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -78.67 -24.74 44.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.67 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -72.67 119.74 17.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.424 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.39 -33.72 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.767 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 10.5 m-85 -111.83 100.55 9.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 84' ' ' ALA . 1.5 tm? -116.0 130.55 56.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.0 110.463 -173.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -130.56 136.04 48.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.89 133.52 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.829 0.347 . . . . 0.0 110.483 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.95 136.71 46.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 65.56 42.16 3.81 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.631 0.582 . . . . 0.0 111.183 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 120' ' ' LEU . 21.3 t -55.04 -30.64 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.732 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -32.65 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.17 19.62 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -172.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -80.31 138.59 36.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 170.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 69.91 0.81 Allowed Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.708 -0.758 . . . . 0.0 114.055 -172.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.6 t30 70.89 -60.22 0.51 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.112 0.565 . . . . 0.0 112.145 175.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.71 -53.29 53.5 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.342 0.257 . . . . 0.0 111.08 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.4 mp0 -67.64 -28.9 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.14 -42.18 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.075 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.94 72.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.2 -49.3 67.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.379 174.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.56 -44.05 76.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.298 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' HD1' ' HG ' ' A' ' 135' ' ' LEU . 77.1 t80 -55.62 -42.43 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 176.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 108' ' ' ASN . 7.0 t -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.458 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.2 mt -62.53 -45.41 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.942 174.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.84 -41.58 82.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.092 0.472 . . . . 0.0 109.975 173.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 36.1 t30 -58.45 -53.83 53.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.469 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.06 -35.84 79.84 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.146 -175.786 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' HA3' ' A' ' 116' ' ' GLY . 20.8 m-30 -68.77 -54.41 16.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.916 0.388 . . . . 0.0 110.477 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.55 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -66.41 -46.21 77.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.824 -175.003 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.9 p -82.03 -43.16 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.503 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.27 -2.82 43.54 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.77 173.22 6.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.567 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 103.64 143.42 12.68 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.895 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 37' ' ' GLN . 76.9 m-85 -127.27 127.14 43.89 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.449 HD13 ' HE2' ' A' ' 110' ' ' PHE . 22.1 tp -126.01 138.0 53.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.278 0.561 . . . . 0.0 111.126 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -128.79 122.75 31.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.35 177.8 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.713 HD22 HG21 ' A' ' 92' ' ' VAL . 89.6 mt -121.42 127.19 50.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.54 146.57 17.87 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.6 t -160.53 -178.77 7.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.192 0.496 . . . . 0.0 110.627 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.45 -14.56 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.987 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -133.94 -175.46 3.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 126' ' ' PRO . 6.6 p -74.81 155.18 87.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.287 175.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.71 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 37.1 Cg_endo -63.89 -30.48 67.69 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 122.99 2.46 . . . . 0.0 113.898 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.33 -4.46 42.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.721 0.296 . . . . 0.0 111.088 -176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -101.23 -6.21 24.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.313 0.578 . . . . 0.0 109.765 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 125' ' ' THR . 96.1 mt -71.31 139.04 49.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.46 79.98 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.583 0.706 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.8 pt -131.79 -173.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.538 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 135' ' ' LEU . 4.5 mmp_? -47.73 130.64 14.61 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.562 0.539 . . . . 0.0 110.456 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 136' ' ' ARG . 37.2 tt0 -65.38 -34.01 77.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.147 -175.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.09 -42.44 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 132' ' ' ARG . 3.7 tt -61.84 -38.83 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.074 -175.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 133' ' ' GLU . 16.9 ptp180 -65.02 -22.08 66.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 p -80.43 -30.43 37.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.23 0.538 . . . . 0.0 109.864 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.403 ' HG3' ' HE1' ' A' ' 104' ' ' PHE . 30.8 mmt180 -67.68 -19.5 65.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.465 0.65 . . . . 0.0 109.791 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.71 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 21.0 mmt -64.15 -19.01 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.212 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.76 -5.09 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.645 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.71 -26.25 59.69 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.687 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 p -103.23 162.41 13.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.65 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.2 153.81 24.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.918 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.47 116.56 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.063 0.459 . . . . 0.0 109.834 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -120.65 129.74 53.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.455 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 pttm . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -151.92 -169.02 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.476 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.3 -161.73 18.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.673 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 22.9 mt-30 -79.31 -73.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.946 0.373 . . . . 0.0 110.907 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 99.4 m-85 -102.31 99.74 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.511 -176.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.87 118.29 54.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.258 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.39 123.79 48.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.59 118.85 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.152 0.501 . . . . 0.0 110.032 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.135 -178.364 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -57.3 -53.05 62.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.09 -33.55 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 90' ' ' ASP . 7.2 mp -72.16 -45.56 59.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.65 99.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 43.6 t90 -71.14 -40.53 71.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.979 -177.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.1 t -68.22 -47.44 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.502 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.81 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.434 ' HB2' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.36 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.568 -178.303 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.89 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.018 0.437 . . . . 0.0 110.517 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.48 -47.28 86.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.158 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.22 -9.34 58.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.388 . . . . 0.0 111.102 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 -4.16 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.49 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.78 14.99 51.21 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.9 159.24 18.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.528 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 57.7 t30 -92.93 133.7 35.85 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -144.69 149.55 35.82 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.493 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.92 131.46 13.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' HB3' HG21 ' A' ' 57' ' ' VAL . 46.5 p90 -109.37 131.09 55.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.67 113.29 36.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.455 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.7 m-20 -79.85 102.18 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -18.89 60.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -173.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 26.8 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.787 0.327 . . . . 0.0 111.644 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -162.9 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 0.0 110.607 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 72.3 mtm -127.39 144.26 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.604 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.2 162.65 7.08 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.777 2.318 . . . . 0.0 112.591 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.7 tp -84.99 144.44 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 p -133.79 164.39 27.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.857 0.361 . . . . 0.0 110.605 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.97 -12.74 61.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.249 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.96 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.053 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -21.91 61.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.059 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.99 -12.63 61.85 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -81.08 -25.92 36.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.176 0.513 . . . . 0.0 110.823 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -89.02 144.46 26.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.259 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.66 -33.95 16.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.973 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 11.8 m-85 -105.9 105.85 16.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.078 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.57 135.11 50.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.869 0.366 . . . . 0.0 110.678 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.85 124.68 41.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.895 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.53 114.44 44.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.71 0.291 . . . . 0.0 110.723 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.661 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 14.5 t70 -90.07 121.69 32.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.71 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.459 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 47.2 mt-30 62.83 57.3 1.74 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.545 0.528 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 122' ' ' SER . 12.0 p -57.43 -23.52 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.358 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.568 ' HB2' HD22 ' A' ' 129' ' ' LEU . 32.7 tt0 -60.0 -24.94 64.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 111.515 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 mppt? -89.2 19.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.129 -173.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.39 151.4 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 173.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -128.72 5.73 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.29 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -89.19 -71.0 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.422 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.32 -33.89 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 -174.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 99' ' ' GLU . 1.5 mp0 -60.78 -37.96 83.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.499 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HG3' HD22 ' A' ' 135' ' ' LEU . 10.0 tt0 -66.85 -43.53 83.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 0.0 110.569 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.89 -48.41 74.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.393 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.23 -46.34 75.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.26 -42.11 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.0 m -62.5 -37.92 87.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.904 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.73 -47.86 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 110.173 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.76 -48.45 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.232 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 28.2 t-20 -61.26 -37.99 85.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.21 -50.52 67.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.288 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.88 -42.99 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.536 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -65.37 -25.98 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.813 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -64.23 -50.39 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.249 0.547 . . . . 0.0 110.328 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -79.52 -38.95 33.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.392 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.39 -7.75 30.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.056 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -102.9 -165.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 102.61 132.26 7.61 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.963 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.1 m-85 -117.52 119.98 36.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.727 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.2 104.86 16.93 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.43 123.31 46.62 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.879 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -128.09 147.03 17.14 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.783 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.458 ' HB2' HG12 ' A' ' 92' ' ' VAL . 9.7 t -176.47 161.03 2.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.3 131.02 44.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 125' ' ' THR . 96.6 m-85 66.53 -164.06 0.23 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 111.776 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 124' ' ' TYR . 17.1 p -89.56 157.55 46.78 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.898 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.36 -26.23 63.54 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.932 2.421 . . . . 0.0 112.33 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 35.6 mt-30 -81.79 -4.19 55.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.142 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -108.95 -9.97 15.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.849 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 93' ' ' GLU . 88.0 mt -75.5 146.82 40.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.339 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.67 90.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.318 0.58 . . . . 0.0 110.597 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 135' ' ' LEU . 14.2 pt -144.72 -173.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.301 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -57.73 134.25 56.06 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.42 -32.37 73.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 1.8 t70 -58.52 -50.05 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.562 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.548 HD22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 tp -63.73 -36.22 83.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 127' ' ' GLN . 41.0 ttm180 -56.54 -46.79 80.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.513 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.8 t -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.66 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 16.0 mmt180 -71.59 -39.22 70.68 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-O 121.275 0.56 . . . . 0.0 109.613 173.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 88.2 mmm -62.2 -31.37 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.251 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.38 -5.57 45.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.047 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.621 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 36.9 m-85 -78.52 -12.0 59.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 34.0 m -90.13 174.35 7.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.072 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.99 162.75 17.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.307 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.0 t -130.63 116.16 34.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.488 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -108.26 144.23 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.37 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.558 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 121.141 0.495 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -134.23 -169.23 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -166.27 8.42 Favored Glycine 0 CA--C 1.522 0.49 0 O-C-N 123.424 0.453 . . . . 0.0 113.877 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.588 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 69.0 mt-30 -72.05 -72.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 120.735 0.302 . . . . 0.0 111.626 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -98.5 101.88 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD12 ' HE2' ' A' ' 145' ' ' TYR . 46.6 mm -122.22 129.12 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 -175.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 142' ' ' CYS . 43.8 t80 -116.01 126.85 54.36 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 145' ' ' TYR . 6.2 m -125.2 138.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.277 -176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 . . . . . 0 C--O 1.236 0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.355 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -73.44 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 111.267 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.48 -26.03 63.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 88' ' ' ALA . 6.7 tp -54.69 -52.44 62.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.466 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.03 -40.67 62.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.68 82.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.283 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 52.1 t90 -64.04 -41.17 97.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.122 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 69' ' ' TYR . 54.5 t -67.93 -46.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.759 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.0 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.585 0.231 . . . . 0.0 111.289 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.2 -48.43 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 86' ' ' TYR . . . -66.11 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.535 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 67.1 mt -63.0 -42.77 99.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.04 -6.95 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.13 0.86 50.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.128 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.5 16.04 78.63 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.168 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -107.68 168.79 9.01 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.486 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 44.4 t30 -101.34 133.25 46.23 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.94 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.93 160.81 42.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.12 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.24 131.76 5.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.594 ' HB3' HG21 ' A' ' 57' ' ' VAL . 14.4 p90 -104.9 125.06 50.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 69.8 mt -124.16 118.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.623 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.875 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 4.5 p-10 -95.04 114.26 26.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.383 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -60.27 -18.33 48.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.999 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.89 72.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -127.89 -11.59 5.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.942 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.513 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 66.3 mtm -139.32 143.49 36.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.784 0.326 . . . . 0.0 111.579 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 86.9 Cg_endo -97.28 169.83 0.83 Allowed 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.301 2.667 . . . . 0.0 112.371 174.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.77 144.04 25.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -139.51 168.63 19.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.99 -24.26 62.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.229 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -25.77 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 110.483 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 -9.03 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.646 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HZ ' ' HD2' ' A' ' 109' ' ' ARG . 4.6 t80 -70.11 -16.97 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.253 0.549 . . . . 0.0 109.96 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.38 -23.0 64.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.24 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -75.04 139.32 42.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -86.02 -33.18 21.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.236 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.582 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 10.3 m-85 -112.02 108.84 18.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.336 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.7 mm? -103.14 131.12 50.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.046 0.45 . . . . 0.0 110.884 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB1' ' HG ' ' A' ' 53' ' ' LEU . . . -119.53 116.22 25.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.536 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.47 122.7 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.0 111.504 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.875 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 22.4 t70 -98.42 126.75 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.743 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 46.4 mt-30 58.73 52.72 6.46 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.572 0.545 . . . . 0.0 111.77 176.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.9 p -58.35 -22.06 19.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.641 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.575 ' HG3' HD22 ' A' ' 129' ' ' LEU . 2.9 tm-20 -65.96 -25.72 67.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.397 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.743 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 23.9 mmmt -83.74 -2.15 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 111.464 -172.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 95.9 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 111.143 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.07 70.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.255 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 t30 69.41 -63.92 0.36 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.207 0.603 . . . . 0.0 112.481 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.5 -50.58 72.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.617 0.246 . . . . 0.0 111.497 -171.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.8 mp0 -59.89 -42.9 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -75.45 -25.8 57.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.047 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.23 78.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.287 0.565 . . . . 0.0 109.635 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -63.77 -46.98 82.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.182 174.79 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.67 -44.78 73.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.447 ' HB2' HD13 ' A' ' 135' ' ' LEU . 77.8 t80 -52.14 -46.29 65.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 177.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 t -62.92 -44.98 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.86 -51.32 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.16 0.505 . . . . 0.0 110.445 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -62.97 -42.32 99.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -63.45 -50.07 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.123 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD2' ' HZ ' ' A' ' 82' ' ' PHE . 97.9 mtt180 -66.41 -36.06 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -61.61 -50.55 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 111.08 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -28.11 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 0.0 110.651 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -75.13 -41.77 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.955 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 m -67.16 -43.11 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.68 -34.67 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.684 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -114.38 173.23 6.56 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.79 138.59 5.72 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.8 m-85 -120.99 140.0 52.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.758 0.313 . . . . 0.0 110.528 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.24 117.27 11.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 -179.497 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.4 tp -106.79 110.12 22.21 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.603 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.96 114.13 28.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -104.26 112.91 4.26 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.865 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.0 m -152.69 132.86 13.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.96 -27.98 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.447 ' CE2' HD23 ' A' ' 129' ' ' LEU . 10.0 p90 -122.76 171.23 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.917 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.43 ' HB ' ' OE1' ' A' ' 127' ' ' GLN . 8.7 p -73.07 154.23 90.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -169.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 20.7 Cg_exo -66.02 -24.36 52.76 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.236 2.624 . . . . 0.0 112.505 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.43 ' OE1' ' HB ' ' A' ' 125' ' ' THR . 23.7 mp0 -67.05 -24.55 66.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.626 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -99.72 5.13 45.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.575 HD22 ' HG3' ' A' ' 93' ' ' GLU . 85.9 mt -85.45 133.69 34.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.53 70.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.628 0.728 . . . . 0.0 109.733 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 pt -119.42 177.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.36 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -54.94 138.81 42.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.566 0.541 . . . . 0.0 110.403 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 0.0 OUTLIER -70.46 -33.51 71.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.83 0.348 . . . . 0.0 110.527 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.8 -28.36 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 104' ' ' PHE . 58.7 tp -81.28 -37.19 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.982 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -61.91 -38.62 89.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.334 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.6 p -64.57 -37.16 86.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.362 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 28.5 mmt180 -69.69 -19.56 63.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.267 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -70.42 -19.6 62.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.52 9.81 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.787 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 36.3 m-85 -94.42 11.56 30.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.654 0.264 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 40' ' ' TYR . 28.6 p -116.68 -173.62 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mp -109.1 153.69 23.34 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.9 t -118.04 116.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.09 0.471 . . . . 0.0 110.756 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.478 ' HB2' HG12 ' A' ' 41' ' ' VAL . 89.4 m-85 -107.89 130.24 55.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.523 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.416 -177.396 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -143.6 -170.31 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.75 -161.78 16.7 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.699 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 40.8 mt-30 -78.52 -76.22 0.2 Allowed 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.5 97.71 7.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.023 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -118.56 123.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -110.6 109.13 19.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 14.2 m -89.4 122.04 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 7.4 p-90 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.491 -172.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 53' ' ' LEU . 10.6 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -56.89 -33.09 66.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.988 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.58 -25.91 61.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.08 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.1 mp -70.47 -44.03 68.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.85 -45.92 92.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.131 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.23 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.694 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -60.89 -41.39 95.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.644 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 70.5 t -64.4 -49.14 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.234 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.7 82.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.413 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.06 -43.65 98.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.94 68.47 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 79.5 mt -61.9 -47.83 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.6 -21.53 65.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.936 0.398 . . . . 0.0 111.201 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -14.83 60.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.71 20.69 33.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.085 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -102.54 -174.46 2.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 51.8 t30 -109.47 133.07 53.52 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -153.1 141.62 20.81 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.442 -175.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.73 142.11 28.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.5 p90 -111.35 136.02 51.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.718 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 71.1 mt -132.99 128.13 56.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.411 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.23 126.71 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.03 12.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.672 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 91' ' ' GLN . . . -114.36 20.17 15.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.241 0.543 . . . . 0.0 110.582 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -167.09 -33.12 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.935 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.505 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 76.2 mtm -128.27 144.58 52.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -84.83 170.1 10.16 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.98 2.453 . . . . 0.0 111.239 172.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 102' ' ' LEU . 38.3 tp -86.64 144.66 27.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 p -125.28 163.13 23.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.0 111.16 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.22 -12.92 59.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.505 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -24.86 66.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.797 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -59.48 -20.94 59.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.163 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 66.8 m-85 -74.6 -18.38 60.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.966 0.412 . . . . 0.0 110.973 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -89.59 -24.21 21.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 0.0 110.766 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.45 113.87 22.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.65 -42.72 98.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.448 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 42.8 m-85 -101.8 107.14 18.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.963 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 81' ' ' ALA . 35.9 tp -116.26 130.51 56.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.351 0.596 . . . . 0.0 110.972 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.7 117.44 28.92 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.137 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.33 118.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.937 0.399 . . . . 0.0 110.613 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.17 175.53 5.43 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.606 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 10.1 mp0 62.22 37.25 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.121 0.486 . . . . 0.0 111.02 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.35 157.94 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.289 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 75.83 -14.49 0.78 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.456 0.702 . . . . 0.0 111.201 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -91.93 4.88 51.98 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 122.102 -0.374 . . . . 0.0 111.433 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.62 150.74 39.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.497 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.63 -79.04 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.167 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -148.86 -66.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.326 -174.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.21 -35.93 74.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.938 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.624 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -73.86 -32.28 63.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.301 . . . . 0.0 110.666 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.14 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.479 . . . . 0.0 110.104 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -66.27 -45.68 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.179 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.66 -44.71 73.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.59 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -56.5 -46.74 80.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 174.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.432 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.4 t -59.53 -36.41 76.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.422 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.51 -49.0 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HE1' ' SG ' ' A' ' 142' ' ' CYS . 10.6 m-85 -61.03 -32.11 71.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.054 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.671 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 44.1 t30 -62.21 -59.32 5.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.696 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.0 -48.91 67.16 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.339 0.399 . . . . 0.0 111.31 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.21 -55.16 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.699 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.14 -18.26 53.51 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASN . . . . . 0.671 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 3.1 t-20 -63.82 -47.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 110.081 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -97.4 -4.54 38.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.49 37.85 94.17 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.415 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -132.57 174.82 9.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.26 162.36 36.73 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.661 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.3 m-85 -132.07 132.92 43.77 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 24.1 tp -135.3 136.39 41.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.456 0.646 . . . . 0.0 110.727 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.6 tp -128.65 118.98 23.84 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.551 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.52 149.08 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.16 -156.25 6.83 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.554 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 m 72.68 152.61 0.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.246 0.618 . . . . 0.0 112.137 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.08 -163.71 0.25 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.062 174.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.611 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 89.3 m-85 -98.57 -84.03 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 p -134.69 153.27 78.8 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.35 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.3 Cg_exo -61.84 -16.69 50.81 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.166 2.577 . . . . 0.0 111.974 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.91 -18.91 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.144 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -129.12 12.9 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 126' ' ' PRO . 62.2 mt -77.29 159.29 29.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.424 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.9 t -87.04 66.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.792 0.806 . . . . 0.0 110.072 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 136' ' ' ARG . 14.4 pt -122.8 160.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.642 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -90.42 164.67 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.33 -46.52 83.18 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -168.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.12 -30.89 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.155 0.503 . . . . 0.0 111.029 -174.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 135' ' ' LEU . 5.8 tt -82.47 -36.98 26.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.317 0.58 . . . . 0.0 109.574 175.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 131' ' ' ILE . 16.7 ttt180 -59.66 -38.91 82.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.793 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.7 p -67.52 -36.4 80.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.337 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.01 -36.75 80.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 175.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.0 mmt -65.9 -25.07 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.203 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.82 -12.69 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -88.85 5.39 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.402 ' SG ' ' HE1' ' A' ' 107' ' ' PHE . 79.9 m -106.67 142.35 36.46 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.631 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.29 154.37 35.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.44 116.51 52.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.814 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 43.6 m-85 -132.41 144.49 50.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 111.633 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.282 -178.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.52 -99.13 0.23 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 64.72 8.23 4.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 111.297 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -111.01 120.24 41.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.816 0.341 . . . . 0.0 110.335 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 146' ' ' GLU . 11.9 p80 -148.07 124.11 10.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.87 123.71 22.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.783 0.325 . . . . 0.0 110.366 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -60.31 100.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.957 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -115.13 97.83 6.44 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.05 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m -76.28 90.71 3.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.09 0.471 . . . . 0.0 111.747 -173.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -144.43 -175.41 4.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.627 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.4 tpt 67.34 75.0 0.31 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.811 0.815 . . . . 0.0 110.26 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -115.3 14.23 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 54.1 m-85 -107.27 130.84 22.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.901 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 39.7 Cg_exo -60.67 -52.33 3.9 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.658 2.239 . . . . 0.0 112.234 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m 59.52 87.0 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.857 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.54 157.01 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -157.37 160.72 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.73 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 13.9 pttm -58.05 133.81 55.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.357 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.959 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 29.3 t80 -67.75 -60.03 2.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -174.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.959 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 1.3 pt? -133.02 43.46 2.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.151 1.38 . . . . 0.0 108.621 -7.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.472 ' H ' ' HD2' ' A' ' 19' ' ' PHE . . . -64.93 1.66 3.28 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-N 114.938 -1.028 . . . . 0.0 115.071 -169.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m 65.16 29.21 12.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.628 0.728 . . . . 0.0 110.81 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.29 167.72 20.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.303 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -90.05 11.71 19.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.072 0.939 . . . . 0.0 108.673 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 -17.35 54.28 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.0 mt-10 -58.49 -29.6 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.31 177.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 47.2 tp -72.89 -36.41 67.31 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.22 0.533 . . . . 0.0 110.164 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.93 -33.34 60.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.491 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.39 -26.14 64.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 93.8 t -75.51 -45.91 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.314 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.524 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 93.1 mt -54.28 102.31 0.06 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 31' ' ' LEU . 4.0 mpt_? -127.08 -164.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.978 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -99.32 169.99 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.445 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.49 -179.83 7.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -158.84 -164.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.651 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.15 164.68 6.14 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 48.1 tt0 -68.12 -55.35 12.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.119 -0.541 . . . . 0.0 111.56 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' HD2' ' A' ' 110' ' ' PHE . 75.5 m-85 -116.03 103.05 10.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.1 mm -123.31 131.25 73.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.323 0.583 . . . . 0.0 111.527 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 42.3 t80 -118.33 123.25 44.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.379 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.8 m -120.95 153.44 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.3 p-90 -143.71 112.88 6.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.1 -74.44 0.21 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.44 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' HG2' HG12 ' A' ' 147' ' ' VAL . 3.3 mp0 -57.35 -24.86 57.83 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 25.0 tp10 -137.28 -50.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.137 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.94 72.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.95 23.85 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.195 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.31 33.45 8.71 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.884 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 72.6 mmtt -119.23 -57.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.596 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 m 62.45 16.89 9.04 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 167.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.46 -33.94 71.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.009 -0.432 . . . . 0.0 110.707 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . 38.3 tp -73.26 -30.83 63.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.108 0.48 . . . . 0.0 109.736 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 50' ' ' SER . 9.5 mp -66.66 -44.89 80.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.81 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.43 -38.42 89.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.452 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 30' ' ' VAL . . . -57.42 -48.76 78.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.503 0.668 . . . . 0.0 110.831 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 36.7 t90 -66.34 -38.77 88.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.787 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 69' ' ' TYR . 56.2 t -64.85 -44.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.562 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.49 87.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.807 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -64.85 -28.62 69.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.773 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.31 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.301 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.1 -36.41 77.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.219 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.32 -26.66 68.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.633 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.9 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 110.784 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.9 16.1 75.84 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.92 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -103.58 153.43 20.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.56 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 14.7 t-20 -81.26 133.88 35.51 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 -175.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -155.97 141.57 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.085 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 146.36 24.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 111.153 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 57' ' ' VAL . 29.7 p90 -116.33 137.61 52.01 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.08 130.08 69.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.558 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 7.8 m-20 -79.53 105.19 10.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.86 3.18 2.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.893 0.377 . . . . 0.0 111.69 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.38 9.34 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.558 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 32.0 t -141.47 -29.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.332 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.5 mtm -132.1 144.26 52.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.329 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.32 160.52 15.09 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.414 2.076 . . . . 0.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 49.9 tp -91.24 144.85 25.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.804 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.2 p -131.54 164.89 24.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.471 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.03 -21.3 65.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.56 . . . . 0.0 110.406 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -24.06 64.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.359 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.15 -21.48 61.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.003 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.14 -13.01 62.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.06 -28.98 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 110.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -83.9 138.67 33.06 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.986 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -91.9 -31.54 15.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.718 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.444 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.7 m-85 -109.31 113.17 25.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.014 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.8 mm? -114.45 136.05 53.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 111.21 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.44 125.34 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.053 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 53.7 t -124.86 114.87 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -107.27 150.7 26.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 66.57 32.4 7.26 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.457 0.473 . . . . 0.0 111.402 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.32 119.9 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.515 0.674 . . . . 0.0 110.318 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 9.0 pt-20 172.87 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.151 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.542 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 30.4 mmmt -88.77 14.5 10.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.936 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.75 133.61 56.26 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.34 -84.46 1.74 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.522 -0.846 . . . . 0.0 113.345 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -139.41 -72.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.295 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.55 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.662 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.16 -32.03 73.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.981 -178.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.561 ' HG3' HD22 ' A' ' 135' ' ' LEU . 25.9 tt0 -72.55 -42.25 64.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.162 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.46 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.236 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -61.06 -49.35 77.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.251 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -58.06 -45.0 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.016 177.332 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.56 -46.45 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.004 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -62.1 -37.44 85.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.331 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.463 HD12 HD22 ' A' ' 103' ' ' LEU . 75.0 mt -58.6 -46.43 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.246 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -56.54 -43.44 79.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.596 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 58.6 t30 -63.44 -47.43 81.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.459 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HE ' ' C ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -60.26 -33.5 72.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.446 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.704 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 10.7 m-30 -69.13 -56.05 8.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -66.74 -33.87 76.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.198 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -66.62 -50.79 61.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -74.55 -29.19 61.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.676 -175.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.54 25.13 33.85 Favored Glycine 0 CA--C 1.507 -0.421 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -131.14 -164.03 1.39 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.856 -1.172 . . . . 0.0 109.341 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 91.37 125.41 3.33 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.908 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 81.2 m-85 -119.28 131.65 55.79 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.2 tp -139.04 141.3 38.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.486 0.66 . . . . 0.0 111.149 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.8 tp -141.36 116.3 9.84 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.351 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.2 mp -121.41 148.3 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.749 0.309 . . . . 0.0 110.814 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -142.59 135.96 6.88 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.204 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 80.7 p -156.22 -167.85 2.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.87 -5.3 21.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 125' ' ' THR . 62.8 m-85 -121.88 -88.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.79 -171.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 178.38 154.25 0.52 Allowed Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 123.035 0.534 . . . . 0.0 110.191 -178.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 54.8 Cg_endo -70.43 -28.57 21.86 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.4 2.067 . . . . 0.0 113.227 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -100.41 4.29 43.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.973 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -115.67 -16.49 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 125' ' ' THR . 73.1 mt -70.7 152.05 44.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.276 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.82 92.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.108 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.21 171.49 12.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.154 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.63 ' HB3' ' OD1' ' A' ' 134' ' ' ASP . 9.5 tpt180 -78.68 156.31 29.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.492 ' OE2' ' HG3' ' A' ' 132' ' ' ARG . 1.3 pm0 -68.5 -23.12 64.52 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.63 ' OD1' ' HB3' ' A' ' 132' ' ' ARG . 15.7 p-10 -69.74 -38.54 76.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.948 0.404 . . . . 0.0 110.194 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 100' ' ' GLN . 28.8 tp -79.2 -40.03 31.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.85 -36.82 77.64 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.536 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.1 p -67.32 -32.28 73.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.48 -27.26 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.2 mmm -64.54 -18.51 64.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.49 -15.95 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.453 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -79.41 -11.66 59.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 80.1 m -94.87 139.19 31.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.04 154.84 29.13 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.61 114.7 47.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.063 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.35 122.45 39.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.486 0.66 . . . . 0.0 111.771 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 5' ' ' HIS . 47.8 mt-10 -110.88 132.95 53.77 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.205 172.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' A' ' 44' ' ' GLU . 9.7 p -87.04 5.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.869 0.842 . . . . 0.0 109.938 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -65.84 132.48 94.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.729 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo . . . . . 0 C--O 1.252 1.194 0 C-N-CA 123.145 2.564 . . . . 0.0 112.741 -177.219 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptm . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.503 0.192 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.38 137.98 4.25 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.053 -1.07 . . . . 0.0 112.839 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -151.26 98.5 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -95.98 158.45 15.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.013 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -153.4 130.04 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.115 0.483 . . . . 0.0 111.372 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -126.57 178.78 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.598 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -166.34 129.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.375 0.422 . . . . 0.0 110.389 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -101.22 95.54 6.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 m -117.64 103.77 10.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -146.42 96.58 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.822 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -131.68 120.06 22.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -146.53 114.9 6.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.279 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -81.22 144.22 53.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.11 127.54 15.25 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.618 2.212 . . . . 0.0 111.95 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -84.21 126.44 33.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -137.28 174.2 10.86 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 3.9 p-10 -147.68 141.37 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 35.0 ttmt 171.98 168.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.03 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 22.7 t80 -133.07 -67.39 0.63 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 170.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.03 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 67.5 mt -101.93 -4.45 26.14 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.389 1.476 . . . . 0.0 107.431 -23.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.21 118.04 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 113.477 -1.692 . . . . 0.0 109.09 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 m -63.68 118.25 8.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.572 0.701 . . . . 0.0 112.796 -168.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -153.82 103.97 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.673 -1.148 . . . . 0.0 109.054 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 28' ' ' VAL . 14.1 t-20 -105.0 5.52 32.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.984 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.61 -35.48 54.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.647 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -65.05 -41.55 95.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.5 tp -76.31 -37.26 57.67 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 24' ' ' ASN . 69.7 t -54.98 -37.81 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.898 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.68 -37.83 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.149 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -74.35 -37.13 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.842 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 95.6 mt -56.91 105.44 0.22 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.161 -176.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.51 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 3.6 mpt_? -139.64 89.89 2.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.6 m80 67.63 174.97 0.26 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.035 176.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -122.12 -175.24 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.913 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HD2' ' HB2' ' A' ' 56' ' ' TRP . 82.9 m-70 -137.15 177.29 7.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.86 -164.44 20.2 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.855 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.606 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 41.2 tt0 -78.73 -76.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.696 0.284 . . . . 0.0 110.89 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 74.4 m-85 -96.34 97.75 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 145' ' ' TYR . 49.3 mm -123.81 118.96 55.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -175.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 46.3 t80 -110.5 113.81 26.74 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 145' ' ' TYR . 22.5 m -108.4 132.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.321 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -113.7 122.21 46.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.531 0.681 . . . . 0.0 110.372 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.11 123.31 1.07 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.822 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.22 -36.89 85.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -175.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HG2' ' H ' ' A' ' 46' ' ' GLY . 21.3 tt0 -168.37 174.02 7.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.528 ' H ' ' HG2' ' A' ' 45' ' ' GLU . . . 157.44 -85.88 0.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.687 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.88 4.25 34.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.025 0.441 . . . . 0.0 111.061 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 111.92 0.89 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.181 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 53' ' ' LEU . 64.5 mttt -59.47 -57.8 11.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.343 0.592 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -58.64 -35.65 72.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.961 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -63.91 -45.78 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.929 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.37 -29.58 67.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.067 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 49' ' ' LYS . 9.9 mp -73.86 -47.38 38.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.715 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.44 -37.06 85.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.774 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.51 ' HB1' ' H ' ' A' ' 32' ' ' ARG . . . -60.23 -40.91 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 110.389 176.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.8 t90 -65.74 -43.35 89.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.557 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 69' ' ' TYR . 55.6 t -62.24 -47.83 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.356 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.13 79.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.201 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -61.76 -45.43 93.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.47 89.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.061 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.27 -48.95 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.212 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.49 -23.44 61.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.157 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.35 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.09 21.73 27.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.262 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.17 178.42 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' A' ' 85' ' ' GLU . 16.4 t-20 -102.89 134.41 46.36 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -153.71 135.28 14.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.984 0.421 . . . . 0.0 111.663 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.37 142.78 37.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.7 p90 -116.65 132.14 56.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.789 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.8 mt -131.47 117.65 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.269 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.757 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 21.0 p-10 -104.42 109.51 21.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.3 56.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.662 -170.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.14 -3.95 50.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 42.4 t -133.33 -30.4 1.31 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.41 ' HB2' ' HE2' ' A' ' 75' ' ' MET . 63.8 mtm -133.81 144.06 50.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.59 163.13 16.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.629 2.219 . . . . 0.0 112.046 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 tp -79.91 143.56 34.14 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.2 p -132.83 157.65 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.05 -12.37 60.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.13 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -25.87 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.777 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -61.53 -17.39 54.56 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.822 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -62.84 -24.2 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.07 -32.29 56.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.53 120.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' ' HB3' ' A' ' 66' ' ' ASN . 11.8 pt-20 -73.29 -39.93 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.951 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 36.6 m-85 -86.36 109.98 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -121.75 121.06 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.064 0.459 . . . . 0.0 110.624 -177.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.82 120.37 41.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.439 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.31 120.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.898 0.38 . . . . 0.0 110.813 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.757 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.9 t70 -93.02 127.13 38.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 62.75 65.5 0.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.428 0.632 . . . . 0.0 111.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 120' ' ' LEU . 24.7 t -65.44 -32.74 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.958 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.92 -10.32 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.607 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -2.48 58.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.695 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 89.3 mt -82.42 135.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.3 -110.62 2.04 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.894 -175.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -95.17 -67.44 0.85 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -170.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.33 -36.3 82.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.02 0.438 . . . . 0.0 110.809 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.4 mp0 -60.62 -41.11 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.594 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.562 ' HG3' HD22 ' A' ' 135' ' ' LEU . 7.4 tt0 -66.3 -41.63 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.79 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.21 -49.71 70.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.939 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 106' ' ' ILE . 51.2 tp -56.67 -38.24 71.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.225 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.91 -46.25 82.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.633 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -32.04 73.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.472 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 103' ' ' LEU . 70.0 mt -60.58 -49.76 83.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.429 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -59.47 -38.41 80.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.58 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.207 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -43.53 96.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 110.917 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HD2' HD21 ' A' ' 118' ' ' LEU . 16.5 m-30 -64.15 -41.68 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.0 111.386 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.598 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -76.69 -45.2 30.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.032 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -76.97 -43.97 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.357 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.11 -28.88 6.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mtmt -89.33 -166.53 1.62 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.706 -0.747 . . . . 0.0 110.353 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 85' ' ' GLU . . . 104.3 119.49 4.62 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 119.89 -1.147 . . . . 0.0 112.613 -177.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 7.1 m-85 -123.01 118.62 28.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.493 HD21 ' HD2' ' A' ' 110' ' ' PHE . 4.0 mm? -107.06 111.05 23.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -177.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 53' ' ' LEU . 54.0 tp -105.02 102.85 12.32 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 92' ' ' VAL . 70.5 mt -108.49 111.72 23.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.47 -175.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.78 116.5 4.87 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.541 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 179.04 6.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.58 -48.8 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.065 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.6 -178.76 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.031 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 12.3 p -91.3 154.12 44.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 Cg_exo -67.87 -32.49 29.06 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.938 2.426 . . . . 0.0 112.838 -170.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -86.13 1.15 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.752 0.31 . . . . 0.0 110.759 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.38 -6.56 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.605 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 125' ' ' THR . 97.3 mt -94.92 158.12 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.226 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.44 86.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.12 172.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.119 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 132' ' ' ARG . 51.6 mtt-85 -83.9 155.48 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.302 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -54.79 -39.15 68.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.384 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.32 -44.53 80.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.875 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 100' ' ' GLN . 35.8 tp -79.93 -41.84 25.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.645 -178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -61.61 -37.13 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.529 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.7 p -69.34 -35.93 76.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.803 0.335 . . . . 0.0 111.284 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -75.89 -19.66 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 111.565 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.5 mmt -69.45 -21.11 63.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.972 0.415 . . . . 0.0 110.759 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.91 64.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.532 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -74.15 -20.62 60.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.511 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 81.0 m -92.27 132.46 36.67 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.394 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.21 154.15 41.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.238 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.08 116.49 52.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.868 0.366 . . . . 0.0 110.567 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.525 ' HB2' HG12 ' A' ' 41' ' ' VAL . 35.3 m-85 -113.93 121.84 45.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.265 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -93.13 122.56 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.33 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 50.5 tttm 179.33 112.51 0.19 Allowed Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.054 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 3.7 Cg_exo . . . . . 0 C--O 1.25 1.113 0 C-N-CA 123.1 2.534 . . . . 0.0 111.949 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.258 0.552 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.95 74.75 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -131.15 104.26 6.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.858 0.361 . . . . 0.0 110.983 -168.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -118.07 88.75 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.271 0.558 . . . . 0.0 109.9 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -100.43 83.93 2.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.701 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -135.46 80.92 1.86 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 178.7 144.57 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.834 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -166.34 131.48 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -94.68 156.56 16.35 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -125.91 -85.09 0.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.6 ttt 37.67 83.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.219 0.949 . . . . 0.0 112.717 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -130.35 138.09 50.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.079 0.466 . . . . 0.0 110.72 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -141.64 96.75 6.78 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.32 141.42 51.61 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.729 2.286 . . . . 0.0 111.66 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 p -85.12 99.38 11.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.862 0.363 . . . . 0.0 110.8 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -88.49 61.73 6.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.382 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -175.27 98.4 0.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.279 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -171.75 169.17 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.979 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 27.2 t80 -149.46 -70.07 0.2 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 173.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.979 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 14.9 mt -119.13 124.19 46.25 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.903 1.681 . . . . 0.0 108.453 -20.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.83 7.51 55.37 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.704 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.2 m -69.88 -59.32 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.94 0.4 . . . . 0.0 110.498 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.25 168.31 19.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -112.74 30.12 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.06 75.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.724 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.7 mt-10 -61.53 -43.48 98.78 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.305 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.91 -42.0 90.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.287 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.96 -38.72 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.183 0.516 . . . . 0.0 110.496 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -70.27 -30.92 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.539 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 26' ' ' GLU . 39.1 t -64.94 -37.47 80.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.034 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.84 100.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.559 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.2 22.16 5.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CG ' ' H ' ' A' ' 34' ' ' LYS . 6.0 t-80 69.17 -171.05 0.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.372 176.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 33' ' ' HIS . 89.6 mttt -106.09 -168.93 1.5 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.619 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -160.08 -174.49 4.58 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.853 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.18 -167.76 4.31 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.286 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.73 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.592 -0.357 . . . . 0.0 111.212 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 90.7 m-85 -100.87 94.77 6.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.28 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 143' ' ' LEU . 45.2 mm -126.23 124.22 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.018 0.437 . . . . 0.0 110.9 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -113.38 125.07 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.028 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.553 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 27.8 m -122.3 157.57 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -82.69 -85.98 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.9 0.381 . . . . 0.0 111.88 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.6 177.37 51.9 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.831 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 44.61 37.09 1.99 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.6 -63.1 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.24 -65.93 2.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.586 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.31 107.18 0.69 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.04 -135.65 1.86 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.771 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.655 ' HG2' ' H ' ' A' ' 50' ' ' SER . 83.2 tttt -170.5 -171.81 1.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.655 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 8.9 m -74.84 68.14 1.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.818 0.818 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.38 -45.65 90.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.962 -171.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.0 tp -76.07 -30.73 58.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.749 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 119' ' ' LEU . 8.5 mp -64.86 -55.96 16.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 111.918 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.43 -39.25 93.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.213 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.07 95.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.885 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 41.9 t90 -60.36 -41.23 93.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 69' ' ' TYR . 60.5 t -59.08 -49.02 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 62' ' ' GLU . . . -61.67 -37.1 82.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.206 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.28 -41.9 99.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.637 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -36.47 82.34 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 93.7 mt -60.84 -36.59 79.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.83 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 58' ' ' ALA . 49.6 mt-10 -59.98 -35.3 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.583 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.42 5.74 11.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.32 19.35 71.99 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.06 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 86' ' ' TYR . 67.3 mmtt -99.08 157.54 16.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -91.97 133.86 35.32 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.911 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . . . -156.23 149.3 24.25 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.637 -178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.06 129.55 17.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.956 0.407 . . . . 0.0 111.45 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HB3' HG21 ' A' ' 57' ' ' VAL . 37.8 p90 -103.77 119.53 39.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.0 mt -106.94 114.85 47.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.503 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 49.1 t0 -85.94 107.96 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.041 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.0 -10.88 15.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.54 -3.52 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.4 t -134.69 -25.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.4 144.56 48.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.473 -176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.36 160.89 5.55 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.581 2.187 . . . . 0.0 111.835 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 99' ' ' GLU . 36.7 tp -79.27 142.56 36.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -145.27 -179.36 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 111.428 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.02 -17.7 63.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.136 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.02 57.35 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.42 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.97 67.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.689 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.2 m-85 -78.22 -13.64 59.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.286 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -89.02 -21.68 23.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.813 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.73 134.8 33.6 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.401 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.25 -44.79 71.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.778 173.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.724 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 69.7 m-85 -107.89 123.48 48.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.644 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.5 127.28 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.278 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -133.8 134.72 43.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.68 174.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 92' ' ' VAL . 48.2 t -120.19 118.52 57.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.503 ' HB2' ' HA ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -80.54 127.12 32.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.346 174.71 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.465 ' H ' ' HB3' ' A' ' 122' ' ' SER . 2.7 mp0 66.85 54.37 0.8 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.532 0.52 . . . . 0.0 111.05 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 89' ' ' VAL . 47.4 t -57.57 -32.26 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.424 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.702 ' HB2' ' HA ' ' A' ' 123' ' ' GLU . 22.0 tt0 -60.98 -18.55 58.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.942 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 25.3 mmmt -99.55 10.63 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -170.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.5 152.47 34.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.299 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.57 -151.96 23.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.92 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -73.1 -52.44 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.16 -34.82 77.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 77' ' ' LEU . 17.9 mp0 -59.76 -41.61 91.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.266 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -61.61 -46.2 90.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.49 94.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -68.77 -45.65 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.744 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -54.62 -45.89 73.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.052 175.743 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.446 ' HE1' ' HE ' ' A' ' 138' ' ' ARG . 43.5 t80 -56.08 -47.71 77.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.703 174.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.503 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 70.7 m -59.99 -30.92 69.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 103' ' ' LEU . 76.1 mt -67.09 -44.4 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.451 174.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.73 -42.07 92.31 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.116 0.484 . . . . 0.0 110.1 173.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 7.6 t30 -61.18 -38.52 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.228 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.82 -45.05 91.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.452 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -62.42 -43.83 97.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 110.612 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -72.13 -32.7 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.425 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.4 OUTLIER -69.78 -37.35 76.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.32 -178.1 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -100.23 -37.41 8.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.054 -174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.59 59.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -170.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -131.05 173.38 11.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -176.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.54 160.64 33.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.141 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.724 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 64.0 m-85 -134.54 150.39 50.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 37.0 tp -127.54 158.3 37.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.709 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 33.2 tp -156.2 117.39 3.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.013 174.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.9 mt -108.39 149.72 28.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.197 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -166.74 162.95 36.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.277 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.465 ' HB3' ' H ' ' A' ' 91' ' ' GLN . 21.1 t 63.89 79.5 0.26 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.3 0.571 . . . . 0.0 111.228 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.702 ' HA ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 pt-20 -169.51 171.28 7.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.881 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 125' ' ' THR . 0.1 OUTLIER -73.87 -70.63 0.37 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.171 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -173.18 151.12 2.02 Favored Pre-proline 0 N--CA 1.465 0.275 0 C-N-CA 123.198 0.599 . . . . 0.0 109.608 172.792 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.08 -25.01 44.27 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.614 2.209 . . . . 0.0 112.468 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -93.44 -15.82 25.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.597 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -103.87 -24.23 13.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.108 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 125' ' ' THR . 83.6 mt -68.73 140.94 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 110.69 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.67 79.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.19 0.519 . . . . 0.0 109.723 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.4 pt -112.06 -179.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.349 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.539 ' HE ' ' HB3' ' A' ' 134' ' ' ASP . 46.5 ttp180 -65.42 134.59 53.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -54.31 -34.46 61.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.91 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 2.4 t70 -64.0 -35.67 81.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.038 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 tp -81.43 -31.42 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -62.74 -37.03 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -74.47 -30.6 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.338 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 38.9 mmt180 -69.3 -27.1 65.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.218 0.533 . . . . 0.0 110.235 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.0 mmt -73.7 -18.38 61.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.946 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.06 70.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 138' ' ' ARG . 29.5 p90 -95.6 16.12 18.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.251 0.548 . . . . 0.0 111.197 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 42.4 t -103.57 123.96 47.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.9 mp -67.54 154.28 41.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.13 116.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.517 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 m-85 -123.37 117.43 25.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.277 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.41 115.73 24.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.444 ' CG2' ' HB ' ' A' ' 41' ' ' VAL . 39.4 t -71.73 88.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.089 0.471 . . . . 0.0 111.404 -173.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -179.0 92.61 0.21 Allowed Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.643 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 123.218 2.612 . . . . 0.0 112.524 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.29 91.4 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.213 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -76.07 97.46 4.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -96.47 151.24 19.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -143.89 142.7 30.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.39 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -80.02 160.93 25.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -106.19 159.69 15.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.206 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -59.36 150.37 26.44 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.743 0.652 . . . . 0.0 111.696 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.4 p -91.99 174.05 7.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.594 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.445 ' NE2' ' HB3' ' A' ' 12' ' ' ASP . 76.5 t60 -119.73 -68.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.35 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.5 mtt 58.23 84.38 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.645 0.591 . . . . 0.0 111.477 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' HB3' ' NE2' ' A' ' 10' ' ' HIS . 8.5 p-10 -94.12 159.59 15.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.52 135.07 28.33 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.896 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.92 160.29 44.88 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.63 2.22 . . . . 0.0 111.758 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -122.25 100.55 7.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.488 . . . . 0.0 110.549 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -93.78 -172.68 2.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.963 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 66.8 74.73 0.33 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.518 0.675 . . . . 0.0 110.465 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HD3' ' HG ' ' A' ' 20' ' ' LEU . 4.9 tppp? -167.0 121.35 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.685 -177.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CB ' ' HA ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -126.69 -56.73 1.37 Allowed 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.374 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HA ' ' CB ' ' A' ' 19' ' ' PHE . 11.5 mt -107.84 -33.87 7.11 Favored 'General case' 0 C--N 1.344 0.349 0 C-N-CA 124.573 1.149 . . . . 0.0 110.414 -12.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.38 -84.01 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.169 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 p -84.39 147.29 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 50.41 86.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.947 0.899 . . . . 0.0 111.955 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -98.13 52.04 1.04 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.106 0.955 . . . . 0.0 108.642 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.13 67.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.506 -1.224 . . . . 0.0 111.867 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.09 -40.22 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -68.67 -35.71 77.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.183 177.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.25 -35.32 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.619 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.2 -29.39 70.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.313 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 79.4 t -66.83 -33.73 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.062 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 89.2 mt -62.09 173.25 1.16 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.649 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 97.8 mtt180 72.45 84.87 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.069 -174.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -55.02 136.92 47.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.191 -177.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 2.5 mptp? -94.8 175.45 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.537 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -110.78 167.56 10.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.654 0.264 . . . . 0.0 111.574 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA3' HG13 ' A' ' 39' ' ' ILE . . . 108.45 158.04 19.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.438 173.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.518 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 45.4 tt0 -114.82 -57.7 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 19.4 m-85 -108.04 96.84 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.029 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.473 HG13 ' HA3' ' A' ' 36' ' ' GLY . 47.0 mm -128.14 132.54 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 111.427 -174.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 54.8 t80 -111.23 128.7 56.01 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.036 172.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 145' ' ' TYR . 27.6 m -122.31 146.67 27.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.594 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.7 p-90 -136.46 -85.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.503 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 148' ' ' LYS . . . 66.48 -133.19 32.78 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.3 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 179.28 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 59.11 22.12 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.03 -56.48 5.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.889 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.51 88.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.591 0.356 . . . . 0.0 110.335 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.21 35.7 1.87 Allowed Glycine 0 CA--C 1.513 -0.078 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.646 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.667 ' HD2' ' OD1' ' A' ' 90' ' ' ASP . 26.4 pttt -61.94 -46.27 90.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.851 -0.674 . . . . 0.0 112.5 -173.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 7.9 p -94.95 15.58 18.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -167.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -63.75 -58.75 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.999 0.428 . . . . 0.0 110.651 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.99 -35.01 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 13.1 tp -58.11 -51.94 67.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -71.71 -45.11 62.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.518 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -59.4 -43.82 92.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 69' ' ' TYR . 68.1 t -69.04 -54.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.005 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.89 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.106 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -64.5 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.944 177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -35.05 73.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.774 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.22 -50.1 75.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.447 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.54 -6.92 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 -7.33 59.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.98 27.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.203 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -111.41 172.3 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 52.0 t30 -104.27 133.29 49.44 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.74 150.39 28.47 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.4 149.29 20.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.789 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB3' HG21 ' A' ' 57' ' ' VAL . 48.2 p90 -125.38 142.77 51.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.845 0.355 . . . . 0.0 110.255 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.518 HG13 HD12 ' A' ' 77' ' ' LEU . 38.4 mm -122.48 113.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.324 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 1.005 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.2 m-20 -89.08 94.47 9.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.466 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -66.29 -14.38 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.77 -8.03 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.688 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 m -135.47 -25.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.376 . . . . 0.0 111.919 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 76.3 mtm -134.13 151.93 77.43 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -172.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -81.93 160.8 18.51 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.576 2.184 . . . . 0.0 112.134 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 70' ' ' ILE . 36.4 tp -91.22 144.32 25.74 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 p -135.26 174.27 10.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 111.367 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.2 -13.05 59.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.586 -174.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.01 58.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.433 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -27.79 63.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.491 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -72.98 -14.28 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.6 -29.38 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -88.31 128.93 35.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.547 -175.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.75 -32.92 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.25 0.548 . . . . 0.0 110.08 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.5 m-85 -106.64 93.41 4.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.299 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 110.334 -174.182 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 53' ' ' LEU . . . -116.27 132.56 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.329 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 103' ' ' LEU . 48.3 t -120.94 129.27 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 1.005 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 12.9 t70 -106.56 135.12 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 2.1 mp0 49.86 76.4 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.09 -18.85 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.527 0.679 . . . . 0.0 110.005 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.785 ' HB2' HD22 ' A' ' 129' ' ' LEU . 6.1 tm-20 -74.07 -25.15 59.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.229 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.6 mmmt -83.81 1.08 44.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 84.0 mt -84.5 149.08 26.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.39 -93.45 1.04 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.727 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -118.57 -70.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.43 -34.31 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.068 -173.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.7 mp0 -58.02 -42.22 84.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.925 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.23 -30.37 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.97 79.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.126 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.1 tm? -63.57 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.257 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -54.95 -47.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.058 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -57.69 -45.29 85.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.84 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -58.08 -37.2 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.588 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 103' ' ' LEU . 75.3 mt -59.03 -50.4 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.347 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.12 -43.64 91.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -48.58 66.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.065 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 38' ' ' PHE . 2.3 m-85 -66.75 -35.12 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -70.59 -26.46 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.998 0.428 . . . . 0.0 110.305 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.95 -44.26 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.491 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -78.68 -43.17 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.634 0.254 . . . . 0.0 110.694 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.38 -31.61 7.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.348 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 67.7 tttt -97.03 172.55 7.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.468 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 117.89 137.91 5.88 Favored Glycine 0 C--N 1.313 -0.7 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.308 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 19.6 m-85 -109.28 131.54 54.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.78 0.324 . . . . 0.0 110.287 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.87 121.42 21.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.184 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . 56.1 tp -115.21 105.68 13.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.398 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.8 mp -100.76 118.32 36.62 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.056 0.455 . . . . 0.0 110.011 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 90' ' ' ASP . . . -116.9 134.26 11.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.46 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 11.2 t -152.76 152.42 31.64 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -78.8 7.63 6.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.009 0.433 . . . . 0.0 110.889 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' HD21 ' A' ' 129' ' ' LEU . 52.5 m-85 -139.67 174.73 10.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.623 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 82.3 p -88.45 155.51 51.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.661 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 Cg_endo -69.0 -15.57 40.04 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.49 -5.23 57.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.453 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 125' ' ' THR . 19.1 pt20 -120.03 2.54 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.746 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.785 HD22 ' HB2' ' A' ' 93' ' ' GLU . 81.7 mt -82.79 143.69 30.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.431 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.8 t -83.8 86.8 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.333 0.587 . . . . 0.0 109.686 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.644 ' HB ' HD23 ' A' ' 135' ' ' LEU . 17.8 pt -133.43 168.93 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.446 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -64.49 148.68 50.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.84 -54.59 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 10.4 t70 -66.56 -38.82 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 110.152 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.644 HD23 ' HB ' ' A' ' 131' ' ' ILE . 41.1 tp -56.74 -48.8 76.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.245 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' HB2' HG13 ' A' ' 131' ' ' ILE . 74.6 ttt180 -60.01 -27.93 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.774 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.3 m -76.32 -36.44 58.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.686 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 27.1 mmt180 -70.99 -18.89 62.59 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.709 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 92.4 mmm -64.16 -18.7 64.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.911 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.05 4.79 21.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -94.13 5.27 52.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 28.3 p -124.71 146.13 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.02 0.438 . . . . 0.0 109.976 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.447 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.1 mp -80.15 154.62 27.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.081 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 119.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.165 0.507 . . . . 0.0 110.887 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.0 m-30 -97.87 118.81 35.27 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.235 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -93.94 113.81 25.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.582 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.499 HG12 ' HG3' ' A' ' 148' ' ' LYS . 43.3 t -87.4 -66.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.054 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.499 ' HG3' HG12 ' A' ' 147' ' ' VAL . 99.1 mttt -138.86 116.6 8.99 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.032 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 13.3 Cg_endo . . . . . 0 C--O 1.248 0.996 0 C-N-CA 122.987 2.458 . . . . 0.0 111.799 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.84 0.352 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.8 35.08 84.51 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.495 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.73 122.13 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -129.47 145.9 51.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.464 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -156.01 142.5 18.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -149.25 137.36 20.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -175.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -122.81 92.51 3.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.418 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -142.55 90.47 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -109.55 -82.97 0.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.614 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -146.3 128.53 15.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.058 0.456 . . . . 0.0 111.177 -174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -107.37 104.13 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -92.38 141.74 28.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.271 0.558 . . . . 0.0 111.094 -173.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 p90 -140.96 97.84 6.99 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.239 174.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 13' ' ' TYR . 31.4 Cg_endo -63.92 147.68 91.95 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.634 2.223 . . . . 0.0 111.876 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 m -69.0 106.01 2.61 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.83 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -76.66 170.0 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.899 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.07 123.82 19.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.12 0.486 . . . . 0.0 110.845 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -83.48 156.83 22.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.276 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.052 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 96.0 m-85 -124.13 -65.82 1.03 Allowed 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.052 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 22.2 mt -109.71 168.93 9.05 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 125.35 1.46 . . . . 0.0 108.78 -19.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.37 -54.33 30.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.882 -175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -157.92 -174.26 4.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -132.99 126.09 31.19 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.954 0.406 . . . . 0.0 110.246 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -84.71 -2.63 57.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.452 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.65 -38.16 59.86 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.085 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 mt-10 -60.36 -41.97 94.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.607 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 tp -71.06 -30.03 66.07 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.3 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.78 -36.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.199 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -67.36 -36.49 81.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.262 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.725 HG12 ' HB2' ' A' ' 55' ' ' ALA . 97.3 t -69.61 -51.47 41.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.91 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' ' 55' ' ' ALA . 97.3 mt -73.95 107.55 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.752 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -104.36 -85.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -167.02 156.78 10.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.15 0.58 . . . . 0.0 109.901 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -78.25 173.57 12.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.206 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -148.89 -163.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.919 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.22 -164.04 4.66 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.484 -0.389 . . . . 0.0 113.5 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -84.33 -58.86 2.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.561 0.219 . . . . 0.0 111.553 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -100.05 92.12 5.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.034 0.445 . . . . 0.0 109.96 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 119' ' ' LEU . 49.3 mm -121.78 125.16 72.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.926 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 28.7 t80 -105.73 126.75 52.53 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.302 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.565 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 26.7 m -121.01 138.03 52.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -124.47 144.05 50.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' A' ' 47' ' ' ALA . . . -116.3 146.97 18.91 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.471 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.57 103.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.716 0.303 . . . . 0.0 110.951 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 43.56 31.78 0.47 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 111.89 -173.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.56 107.3 3.15 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.025 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 43' ' ' GLY . . . -80.7 68.69 7.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.999 0.428 . . . . 0.0 111.096 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.52 0.63 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -164.74 -174.12 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 122.758 0.423 . . . . 0.0 110.115 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 1.1 p -72.8 36.07 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.4 0.68 . . . . 0.0 112.588 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -63.07 -33.97 76.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.559 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.53 -43.09 67.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 119' ' ' LEU . 8.3 mp -69.61 -37.15 76.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.681 -178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.725 ' HB2' HG12 ' A' ' 30' ' ' VAL . . . -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 77.8 t90 -63.62 -41.74 98.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.576 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 53' ' ' LEU . 75.1 t -63.86 -47.49 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.68 95.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.867 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -58.01 -37.92 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.74 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.95 -39.96 61.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.01 -48.07 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.191 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.14 -14.04 62.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.202 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.44 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 17.17 39.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.238 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -117.88 174.45 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -102.61 134.55 45.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.1 0.476 . . . . 0.0 111.103 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 152.0 38.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.429 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB3' HD22 ' A' ' 87' ' ' LEU . . . -125.93 126.93 45.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.07 0.462 . . . . 0.0 111.497 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -99.97 113.64 26.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.536 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.5 139.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 111.189 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 7.7 m-20 -108.11 108.8 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.67 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -103.75 17.26 24.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 111.563 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 41.9 t -138.82 -38.33 0.51 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 109.768 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 65.5 mtm -129.96 142.95 47.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.503 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.73 154.58 34.59 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.281 1.987 . . . . 0.0 111.527 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 102' ' ' LEU . 26.6 tp -77.01 142.3 39.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.3 p -134.73 172.79 12.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.16 0.505 . . . . 0.0 111.479 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.14 -15.54 63.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.035 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.02 64.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.123 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.86 66.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.92 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -79.07 -13.9 59.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 111.079 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.44 -25.97 30.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.196 0.522 . . . . 0.0 111.205 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 145.63 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -85.01 -25.25 27.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.274 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 14.6 m-85 -129.86 128.75 42.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.228 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -120.31 125.27 47.64 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.9 0.381 . . . . 0.0 111.923 -172.73 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.42 124.85 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -130.31 119.7 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.29 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 50' ' ' SER . 4.1 t0 -104.59 175.1 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 36.3 mt-30 56.64 34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.397 0.679 . . . . 0.0 110.931 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 61.9 t -63.31 -12.96 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.641 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 123' ' ' GLU . 7.1 tp10 -61.74 -20.07 63.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.212 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 1.5 mppt? -112.33 30.35 7.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 39.8 mt -61.22 134.49 57.05 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.799 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.69 -102.45 2.42 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.877 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.11 -63.71 1.09 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.642 -0.328 . . . . 0.0 111.617 -174.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.55 -37.43 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.315 0.579 . . . . 0.0 110.742 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.41 -37.8 82.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.799 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' OE1' ' HB ' ' A' ' 131' ' ' ILE . 41.7 mt-30 -64.81 -43.55 92.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.03 92.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.554 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.39 -49.13 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.802 179.257 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.591 HD12 HD21 ' A' ' 135' ' ' LEU . 2.5 tm? -54.87 -45.21 74.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.713 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -52.86 -45.15 67.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.835 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 t -68.7 -41.12 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.94 -51.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.446 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -61.51 -42.87 99.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.766 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.54 -47.5 83.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.796 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.53 -40.67 85.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.533 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -66.76 -34.78 78.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.124 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 107' ' ' PHE . 33.0 mtm180 -72.78 -30.77 64.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.012 0.434 . . . . 0.0 111.244 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -77.34 -45.24 26.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.992 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -70.87 -35.71 72.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.58 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.76 -13.89 63.12 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 75.2 tttt -125.95 175.04 7.98 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' TYR . . . 130.73 -16.6 5.32 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 19.5 m-85 42.36 86.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.281 1.033 . . . . 0.0 112.615 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -95.13 123.77 38.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.543 0.687 . . . . 0.0 110.487 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.521 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.0 tp -118.99 115.78 25.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.57 141.05 48.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -140.29 143.27 13.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.669 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.1 p -150.24 -163.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 93' ' ' GLU . 11.9 pt-20 -119.76 -23.22 6.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -170.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 125' ' ' THR . 28.2 m-85 -105.22 -85.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.894 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -172.68 159.71 3.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.198 0.599 . . . . 0.0 109.734 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.685 ' HD3' ' CE2' ' A' ' 40' ' ' TYR . 37.0 Cg_endo -65.19 -27.53 56.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.59 2.193 . . . . 0.0 112.424 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.31 -5.12 59.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.112 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -104.93 -2.33 24.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.03 133.4 48.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.411 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.02 85.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.374 0.607 . . . . 0.0 109.856 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.41 ' HB ' ' OE1' ' A' ' 100' ' ' GLN . 30.9 pt -142.53 -174.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 132' ' ' ARG . 11.7 mmt180 -56.26 130.72 45.62 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 110.701 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.3 pm0 -70.01 -29.88 67.06 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.983 -174.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 6.1 p-10 -73.5 -29.11 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.255 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 103' ' ' LEU . 5.6 tt -81.34 -41.3 22.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.68 -22.78 66.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.121 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 p -78.55 -28.91 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 32.5 mmt180 -72.28 -15.11 61.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.032 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.94 -17.33 61.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.67 4.24 8.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -87.43 12.39 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.16 159.83 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 143' ' ' LEU . 6.3 mp -81.93 154.72 25.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.95 114.98 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 36.7 m-85 -118.12 144.38 45.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.143 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -106.83 117.37 33.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.285 0.565 . . . . 0.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 41' ' ' VAL . 46.9 t -98.93 98.33 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 154.91 48.33 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.215 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.565 2.177 . . . . 0.0 110.708 171.443 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.28 132.84 2.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.859 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -168.75 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.513 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -80.93 71.97 7.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.934 0.397 . . . . 0.0 110.756 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -80.83 74.65 7.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 111.57 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.76 100.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.588 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -169.25 132.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -67.26 103.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -123.39 147.02 47.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -84.96 108.91 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.51 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.4 ptm -72.05 145.81 48.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.324 0.583 . . . . 0.0 111.334 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.29 -31.44 11.35 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 t80 66.1 88.84 0.11 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.272 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.05 118.31 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.92 2.414 . . . . 0.0 111.065 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -89.06 92.72 9.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.86 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.21 139.51 39.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -98.99 172.51 7.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.936 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -118.07 142.12 47.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 65.2 t80 -173.24 81.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -174.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 18' ' ' LYS . 68.4 mt 45.61 -154.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.373 1.869 . . . . 0.0 113.246 11.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.53 -97.86 0.14 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.767 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.0 t -100.71 146.08 27.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 0.0 110.246 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' A' ' 25' ' ' ALA . 41.4 tt0 -165.62 134.48 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -111.89 8.52 20.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.759 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' H ' ' HG2' ' A' ' 23' ' ' GLU . . . -54.19 -38.14 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.146 -176.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 30' ' ' VAL . 52.7 mp0 -60.61 -42.95 97.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.218 0.533 . . . . 0.0 111.294 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mm? -68.35 -33.81 74.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.588 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.73 -35.22 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -68.47 -27.16 65.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.208 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' GLU . 58.3 t -75.37 -34.99 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 55.1 mt -64.34 106.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -97.59 -86.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.125 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -175.1 32.2 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.22 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG2' ' H ' ' A' ' 35' ' ' HIS . 80.3 tttt 61.96 -174.39 0.14 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.626 0.25 . . . . 0.0 111.201 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.84 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -169.2 -171.87 1.39 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.128 0.571 . . . . 0.0 109.782 174.395 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.55 177.38 17.47 Favored Glycine 0 C--N 1.333 0.378 0 O-C-N 123.562 0.539 . . . . 0.0 114.064 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.4 mt-30 -71.26 -76.38 0.11 Allowed 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -94.77 103.15 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.448 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.44 HG22 HG13 ' A' ' 41' ' ' VAL . 70.1 mt -135.52 132.95 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 111.243 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 126' ' ' PRO . 52.2 t80 -106.05 122.56 46.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.434 172.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 HG22 ' A' ' 39' ' ' ILE . 11.0 m -123.39 110.73 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.265 0.555 . . . . 0.0 111.459 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 9.7 p-90 -113.14 -45.23 3.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 46' ' ' GLY . . . 84.24 128.02 1.58 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.694 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.56 -41.57 88.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 0.0 111.148 -174.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE1' ' HE2' ' A' ' 148' ' ' LYS . 3.2 mp0 -97.7 13.45 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.247 174.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.587 ' O ' ' HA3' ' A' ' 43' ' ' GLY . . . 100.61 -134.97 11.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 75.0 -28.87 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 112.694 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.26 -19.39 78.66 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.459 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -55.62 102.94 0.08 Allowed 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.3 m 67.22 -65.72 0.22 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 41.0 p-80 -59.94 -30.56 69.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 tp -71.4 -29.43 64.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.897 0.38 . . . . 0.0 110.904 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' HB1' ' A' ' 88' ' ' ALA . 7.8 mp -73.73 -34.28 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.831 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 13.6 pt20 -62.92 -35.92 81.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.299 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.78 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.7 t90 -84.72 -41.38 16.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.226 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.9 t -69.55 -51.18 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.802 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.91 81.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.598 -174.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -68.51 -42.02 79.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.38 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' HB3' ' A' ' 67' ' ' ALA . 24.2 mt -60.52 -50.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.381 178.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -78.05 -11.01 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.174 0.512 . . . . 0.0 111.159 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.93 -10.61 59.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.99 8.46 47.86 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.871 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -110.12 154.49 23.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 37.8 t30 -82.6 133.3 35.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.786 0.327 . . . . 0.0 110.216 -176.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . . . -151.96 148.36 27.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.66 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 47.7 p90 -119.06 139.6 51.47 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -136.33 121.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.124 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -106.76 109.79 21.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.843 0.83 . . . . 0.0 108.807 176.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.87 -32.46 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 113.981 -1.463 . . . . 0.0 114.227 -166.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.19 0.0 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.06 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.8 t -128.73 -28.58 2.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.097 0.475 . . . . 0.0 110.54 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.3 mtm -133.55 142.94 45.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.232 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.26 152.83 18.37 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 tp -88.04 143.4 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.348 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 p -135.11 160.13 39.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.907 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HD2' ' A' ' 82' ' ' PHE . 5.4 p-10 -73.2 -12.46 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.428 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.55 67.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.033 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.69 -22.52 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.143 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HD2' ' O ' ' A' ' 79' ' ' ASP . 76.7 m-85 -68.36 -13.13 62.06 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.03 -23.85 48.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.365 0.602 . . . . 0.0 111.125 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -91.05 148.51 22.34 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.539 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -92.65 -27.69 17.14 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.392 0.615 . . . . 0.0 109.784 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 8.3 m-85 -111.5 108.81 18.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.157 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.752 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -115.55 124.99 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 0.0 110.965 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -114.5 109.36 18.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.885 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -111.85 117.67 55.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.124 0.487 . . . . 0.0 110.432 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -101.51 154.52 18.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.455 ' HB2' ' CG ' ' A' ' 94' ' ' LYS . 3.5 pt20 44.31 60.3 2.87 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.233 0.958 . . . . 0.0 112.359 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.905 HG21 HD22 ' A' ' 120' ' ' LEU . 43.0 t -67.17 -25.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.682 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.949 ' HB3' HD22 ' A' ' 129' ' ' LEU . 8.4 pt-20 -65.9 -10.63 40.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.67 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 58.8 mmtt -112.05 11.5 20.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.589 -175.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.63 142.87 57.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.592 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.24 69.3 2.6 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.285 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.422 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 13.8 t30 59.1 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' OE2' ' HB3' ' A' ' 97' ' ' ASN . 2.6 mp0 -55.37 -37.5 67.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.24 -28.21 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.922 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.27 -37.31 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.759 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.59 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.149 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.11 -47.41 80.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.08 -45.61 75.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.325 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HA ' HD21 ' A' ' 135' ' ' LEU . 61.0 t80 -55.39 -45.7 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 m -59.45 -37.12 77.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.091 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.36 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.569 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.73 -42.84 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.66 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 10.6 t30 -63.65 -41.63 98.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.31 -39.51 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.8 m-30 -72.21 -55.0 7.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.354 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 111' ' ' ARG . 4.4 mmp_? -68.91 -18.71 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.561 -174.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -67.87 -40.98 83.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.953 -178.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 p -96.01 -33.64 12.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.61 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -89.43 -164.35 1.14 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.989 -0.606 . . . . 0.0 110.628 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.482 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 106.14 121.84 4.88 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.142 173.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.501 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 85.1 m-85 -111.99 112.53 24.23 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.724 HD23 ' HE2' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -130.03 123.93 31.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.308 0.575 . . . . 0.0 110.347 -172.113 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.1 tp -121.33 114.05 20.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.628 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.905 HD22 HG21 ' A' ' 92' ' ' VAL . 97.4 mt -101.31 131.75 47.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.64 -106.41 1.49 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.405 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 71.22 -176.21 0.19 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.843 0.457 . . . . 0.0 110.759 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -114.82 -19.24 11.09 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -118.68 -87.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.515 -0.874 . . . . 0.0 113.059 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.732 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -159.0 152.57 19.07 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.757 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 36.9 Cg_endo -66.37 -36.33 27.77 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.444 2.096 . . . . 0.0 113.156 -172.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -91.53 -8.94 46.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.112 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -108.13 -2.71 19.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 93' ' ' GLU . 74.2 mt -63.86 165.96 7.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.46 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.86 81.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.724 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.6 pt -135.16 168.38 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.383 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -92.18 171.27 9.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.233 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.91 -32.85 72.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.796 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 15.1 m-20 -56.87 -38.78 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.731 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 104' ' ' PHE . 16.7 mt -82.1 -40.27 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -57.1 -36.0 70.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.9 p -70.47 -41.07 73.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 26.8 mmt180 -73.89 -24.46 59.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 25.1 mmt -65.7 -18.14 65.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 111.138 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.0 -2.85 32.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.441 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 78.7 m-85 -100.39 11.8 38.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.1 p -122.57 154.08 38.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.0 110.085 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.03 154.02 22.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.65 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.11 116.69 52.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.097 0.475 . . . . 0.0 109.757 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -113.18 118.95 36.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.742 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -90.57 113.16 25.1 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.552 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 51.4 t -103.68 122.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.763 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.504 ' HE2' ' OE1' ' A' ' 45' ' ' GLU . 15.6 ptpt -132.85 90.02 33.18 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.316 0.579 . . . . 0.0 110.248 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 147' ' ' VAL . 61.4 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.89 2.393 . . . . 0.0 112.519 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.46 100.91 2.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.503 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -80.97 87.87 5.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -109.33 114.93 29.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 109.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -166.48 113.04 0.84 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -156.74 124.88 5.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -153.92 134.25 13.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.648 0.261 . . . . 0.0 110.478 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.21 104.21 3.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.074 0.464 . . . . 0.0 110.01 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -144.28 89.72 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.23 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -170.92 82.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.75 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 24.8 ptt? -178.94 111.04 0.05 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.278 173.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' MET . 28.6 t70 178.4 99.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.286 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -131.91 81.3 63.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.895 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -94.22 119.34 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.32 2.68 . . . . 0.0 110.98 170.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.5 t -130.29 92.7 3.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.176 0.512 . . . . 0.0 111.307 -175.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -167.81 115.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.998 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 18' ' ' LYS . 5.4 p-10 -83.66 -91.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.375 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' H ' ' CG ' ' A' ' 17' ' ' ASP . 80.1 mttt -152.64 140.18 19.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.21 0.529 . . . . 0.0 111.361 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.014 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 30.8 m-85 -137.81 162.18 34.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.801 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.014 ' HG ' ' HB3' ' A' ' 19' ' ' PHE . 2.8 mp -120.64 96.04 4.96 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.298 0.639 . . . . 0.0 109.629 -0.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.41 -95.92 0.2 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.781 -0.724 . . . . 0.0 111.903 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -176.5 152.75 1.08 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.816 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -136.45 118.66 15.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.204 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.8 p-10 -105.72 -12.82 15.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.905 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.05 87.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 111.094 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.9 tp -73.08 -43.9 61.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 24' ' ' ASN . 57.7 t -65.44 -33.07 61.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.466 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.93 -38.6 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.114 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.19 -34.24 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.071 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 86.4 mt -60.38 107.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.616 ' HD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 mpt_? -127.57 -172.47 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.651 174.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -78.92 146.4 33.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.977 0.417 . . . . 0.0 110.894 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -71.84 167.38 20.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.742 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 87.6 m-70 -122.36 -169.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.794 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.49 -162.02 20.13 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.468 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 34.9 tt0 -82.71 -64.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.192 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -116.16 106.9 14.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.205 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.7 mt -137.28 137.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.992 0.425 . . . . 0.0 111.393 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' TRP . 68.8 t80 -113.35 130.32 56.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.879 171.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.475 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.5 m -114.61 137.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.136 175.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.403 ' HB3' ' HE2' ' A' ' 40' ' ' TYR . 27.5 p-90 -118.12 6.97 12.08 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.04 83.4 0.13 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.684 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -88.14 88.29 7.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.427 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' H ' HG13 ' A' ' 147' ' ' VAL . 30.1 mt-10 71.38 -52.86 0.69 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.093 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.53 -94.81 0.1 Allowed Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.12 78.14 1.38 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.13 -96.49 2.09 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.944 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 51' ' ' HIS . 32.1 tttm 174.47 109.38 0.02 OUTLIER 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.772 0.337 . . . . 0.0 111.367 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.9 OUTLIER 54.77 28.07 9.74 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 170.362 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.434 ' HD2' ' O ' ' A' ' 49' ' ' LYS . 17.0 m170 -63.04 -60.02 4.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.315 0.507 . . . . 0.0 111.284 -173.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.02 -24.91 47.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.008 0.433 . . . . 0.0 110.649 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' SER . 5.8 mp -69.98 -44.82 68.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.577 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.98 -36.56 82.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.96 97.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HD1' ' H ' ' A' ' 35' ' ' HIS . 57.2 t90 -59.3 -45.03 92.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.414 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 69' ' ' TYR . 76.0 t -65.69 -48.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.476 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.28 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.79 -38.99 90.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.099 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.75 87.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.809 0.338 . . . . 0.0 110.435 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.62 -49.18 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.378 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.03 -11.43 59.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.172 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.5 -1.97 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.3 8.68 64.16 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.385 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -106.71 161.72 14.41 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 58.4 t30 -89.39 133.77 34.37 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.08 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -148.79 155.78 41.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -177.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.06 138.37 17.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.59 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.7 p90 -108.97 130.38 55.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.65 113.64 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.215 0.531 . . . . 0.0 110.135 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 17.9 m-20 -97.21 110.29 22.87 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.45 -25.19 49.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.25 33.54 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 42.2 t -156.88 -39.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.862 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.5 mtm -137.88 143.95 42.1 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.188 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.39 156.57 14.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.343 2.028 . . . . 0.0 112.392 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -75.21 143.51 43.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.561 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.17 163.63 32.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -174.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.09 -21.3 62.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.023 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.33 -24.8 57.39 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.341 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.79 -25.35 66.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.01 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.66 -18.64 65.48 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.38 -18.45 36.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.184 0.516 . . . . 0.0 111.509 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -82.8 142.83 31.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.136 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -85.59 -35.1 21.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.73 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 10.9 m-85 -110.66 113.37 25.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.116 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.71 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.4 mm? -112.79 126.78 55.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.926 0.393 . . . . 0.0 111.275 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.68 124.23 42.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.04 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.24 114.81 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -91.62 132.12 36.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.75 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.729 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 45.7 mt-30 62.22 41.79 10.17 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.568 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.56 -23.72 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.811 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.597 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 1.2 pt-20 -67.35 -18.32 65.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.775 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.729 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 21.6 mmmt -79.52 -8.86 59.44 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.705 0.288 . . . . 0.0 111.224 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -71.11 141.12 50.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.48 -125.35 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.129 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -96.16 -53.34 3.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.048 0.451 . . . . 0.0 111.022 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.66 -36.34 83.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.687 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 3.1 mp0 -65.16 -42.36 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.72 -18.36 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.754 0.311 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 132' ' ' ARG . . . -76.35 -42.03 46.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.642 173.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.8 -50.43 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.806 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -57.23 -46.06 83.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.768 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.02 -43.96 78.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 m -59.88 -36.23 76.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.943 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 61.9 mt -61.93 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.3 -48.06 81.7 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.6 t30 -59.62 -48.52 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -57.27 -48.56 78.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.952 0.406 . . . . 0.0 110.886 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 118' ' ' LEU . 10.7 m-30 -67.22 -51.06 57.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.667 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.65 -27.8 65.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.106 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -66.57 -40.0 88.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.231 0.539 . . . . 0.0 110.719 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -93.46 -23.58 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.115 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.61 18.39 66.14 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -124.37 174.37 7.79 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -173.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.17 150.33 12.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.478 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 38.8 m-85 -122.4 138.94 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.89 124.47 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 0.0 110.715 -176.559 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 51.7 tp -121.44 116.39 24.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.47 177.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 118' ' ' LEU . 77.5 mt -114.53 141.54 47.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -148.35 131.74 3.91 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.607 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 54.1 m -153.21 -87.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' SER . 15.1 pt-20 174.39 -171.4 0.05 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.203 0.315 . . . . 0.0 110.598 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 125' ' ' THR . 28.5 m-85 62.38 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.551 0.741 . . . . 0.0 111.556 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.2 OUTLIER 174.4 155.46 0.31 Allowed Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 124.367 1.067 . . . . 0.0 109.055 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.4 Cg_exo -59.19 -24.78 75.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.55 2.167 . . . . 0.0 112.732 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -98.72 3.39 47.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.071 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -109.28 -29.16 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.201 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 125' ' ' THR . 94.5 mt -56.23 134.82 53.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.539 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -87.89 86.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.176 0.512 . . . . 0.0 110.01 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.2 pt -136.99 176.33 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.953 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 101' ' ' ALA . 15.5 ttp180 -59.82 126.28 26.95 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 136' ' ' ARG . 10.8 pt-20 -62.3 -23.43 66.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.944 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.44 -30.93 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.231 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 135' ' ' LEU . 7.6 tt -83.39 -35.31 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' MET . 11.4 ttt180 -57.84 -37.98 74.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.248 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.6 p -67.01 -29.73 69.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.304 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.535 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 12.5 mmt180 -76.98 -16.94 59.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.033 0.444 . . . . 0.0 110.224 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 17.8 mmt -65.78 -23.6 66.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.623 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.46 -5.16 54.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.866 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 41.9 m-85 -94.06 6.42 48.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 63.7 m -115.48 147.28 40.81 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.909 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.19 155.57 40.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.1 115.81 49.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.51 162.6 24.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.635 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -156.07 159.04 38.76 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.087 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.499 HG13 ' H ' ' A' ' 45' ' ' GLU . 10.9 p -137.4 21.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 122.353 1.073 . . . . 0.0 108.927 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -94.67 161.3 29.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.901 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.426 2.084 . . . . 0.0 111.996 174.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.74 167.48 26.43 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.123 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.99 117.15 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.022 0.439 . . . . 0.0 111.557 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -140.89 86.92 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.89 70.51 7.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.153 0.501 . . . . 0.0 109.915 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -81.52 143.32 32.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.234 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -159.12 97.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.234 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -114.0 104.99 12.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -125.89 107.43 10.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 0.0 110.833 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -158.96 63.65 0.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -109.15 85.46 2.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.259 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.26 133.1 45.09 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.92 91.55 49.19 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.74 0.305 . . . . 0.0 111.442 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.44 116.67 4.8 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.768 2.312 . . . . 0.0 111.122 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -149.29 102.56 3.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -136.85 100.78 4.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.799 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -169.96 129.42 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -143.85 115.37 8.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.798 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 37.7 t80 -141.33 -59.59 0.49 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.798 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 46.7 mt -103.24 125.71 50.04 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.157 1.383 . . . . 0.0 108.346 -16.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' HB3' ' A' ' 19' ' ' PHE . . . -135.95 122.14 2.64 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.533 -171.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 86.9 m -159.49 -85.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 22' ' ' THR . 25.9 mt-10 -163.02 -179.1 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.477 HD22 HD23 ' A' ' 27' ' ' LEU . 6.8 t-20 -109.45 21.15 17.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.317 -173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 mt-10 -64.91 -40.06 94.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.711 0.291 . . . . 0.0 111.048 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD23 HD22 ' A' ' 24' ' ' ASN . 65.8 tp -71.21 -39.22 71.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 24' ' ' ASN . 91.8 t -67.15 -35.29 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.662 176.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -59.29 -32.3 69.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 87.6 t -75.21 -44.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.09 130.48 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.336 -175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -130.39 -80.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.247 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -170.83 139.38 1.47 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 110.381 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -61.2 147.17 45.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.441 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 14.0 m80 -119.32 -165.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.669 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 39' ' ' ILE . . . -61.0 -173.52 1.06 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.618 0.607 . . . . 0.0 114.618 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 51.7 tt0 -91.71 -45.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.429 -0.385 . . . . 0.0 111.124 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 76.9 m-85 -125.54 89.6 3.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 145' ' ' TYR . 39.4 mm -117.94 129.67 73.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.971 0.415 . . . . 0.0 111.329 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 51.9 t80 -116.99 123.45 46.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.6 m -123.78 102.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.423 0.63 . . . . 0.0 111.049 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.6 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 65.0 p-90 -90.55 163.29 14.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.911 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.49 27.67 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.143 -1.027 . . . . 0.0 113.0 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -96.92 155.41 16.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.94 -42.32 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 111.347 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.61 -13.08 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.63 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.51 -41.32 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.93 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.11 -82.47 0.92 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.677 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt 71.13 136.2 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.419 0.688 . . . . 0.0 110.628 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -78.02 4.23 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.768 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -55.65 -47.41 76.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.997 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.436 HD11 ' CE1' ' A' ' 35' ' ' HIS . 54.8 tp -75.3 -27.83 59.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.007 0.432 . . . . 0.0 110.634 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 90' ' ' ASP . 24.1 tp -67.21 -42.12 84.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.948 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -72.26 -33.78 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.04 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 32' ' ' ARG . . . -61.5 -36.32 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.123 0.487 . . . . 0.0 110.871 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.513 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 52.0 t90 -66.31 -34.51 78.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.411 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 69' ' ' TYR . 85.1 t -75.0 -48.98 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.35 85.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.513 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.79 -40.96 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.48 . . . . 0.0 110.025 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.92 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.653 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 81.6 mt -63.68 -47.96 79.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.627 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -77.46 -9.5 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.256 0.55 . . . . 0.0 110.783 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.25 60.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.152 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . 98.24 17.23 30.06 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.206 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 12.8 mptt -109.96 -176.25 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.085 0.469 . . . . 0.0 111.007 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 33.0 t-20 -101.01 133.26 45.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.158 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -156.48 147.08 21.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.04 17.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.619 ' HB3' HG21 ' A' ' 57' ' ' VAL . 52.0 p90 -115.63 137.71 51.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.455 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 73.2 mt -125.58 122.22 61.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.225 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 5.8 m-20 -88.21 106.45 18.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.43 -18.3 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -173.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.42 19.03 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.733 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 47.0 t -144.67 -36.0 0.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 68.0 mtm -130.69 144.87 55.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.624 -175.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.49 179.38 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.765 2.31 . . . . 0.0 112.59 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 99' ' ' GLU . 58.0 tp -99.51 144.45 28.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -127.1 155.92 42.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.065 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -26.23 67.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.988 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.52 59.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -24.14 60.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.155 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.94 -28.02 30.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.582 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -70.43 139.9 51.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.361 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.01 -25.42 18.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.276 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 35.6 m-85 -112.65 107.48 16.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.241 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.472 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -109.0 120.4 42.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 0.0 111.221 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -121.15 113.64 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.117 177.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.5 t -126.81 126.17 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 53' ' ' LEU . 34.2 t0 -105.96 162.94 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.831 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 61.94 36.77 15.54 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.719 0.637 . . . . 0.0 111.491 172.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.8 p -67.71 119.14 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 8.5 pt-20 172.71 -32.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.461 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 31.3 mmmt -76.03 -9.95 59.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.688 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.32 132.0 48.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -88.92 1.79 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.878 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -131.48 -54.18 1.02 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.601 0.239 . . . . 0.0 111.135 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.43 -43.64 98.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.331 0.586 . . . . 0.0 110.249 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.8 mp0 -63.91 -40.79 97.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.945 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -69.23 -35.12 75.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.79 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.26 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.08 -49.25 70.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.499 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -56.12 -48.2 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.079 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -54.05 -44.15 70.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.728 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -62.61 -34.48 77.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.59 -42.37 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 103' ' ' LEU . 31.5 m-85 -61.45 -41.13 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 12.2 t30 -64.86 -28.94 69.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.731 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 109' ' ' ARG . 14.9 ttt180 -75.48 -57.3 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.472 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 12.6 m-30 -62.38 -52.15 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.732 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.573 HH11 ' HG3' ' A' ' 111' ' ' ARG . 14.9 mmt85 -71.22 -17.71 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.663 -174.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.689 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.7 t-20 -60.06 -60.63 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.199 0.523 . . . . 0.0 110.711 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.7 t -97.6 -28.1 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.837 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.41 21.53 9.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.773 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 37.3 ttpt -107.12 173.37 6.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 89.94 147.63 17.61 Favored Glycine 0 C--N 1.313 -0.725 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.163 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 38.1 m-85 -121.65 137.78 54.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.6 tp -138.22 140.51 39.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.36 0.6 . . . . 0.0 110.543 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.496 HD13 ' HB ' ' A' ' 39' ' ' ILE . 50.0 tp -143.95 114.8 7.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.579 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 80.4 mt -121.81 145.53 47.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.25 169.74 23.24 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.204 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.1 m 75.2 176.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.665 0.786 . . . . 0.0 112.131 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 13.9 mm-40 64.66 -164.01 0.25 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.926 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -107.75 -164.26 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.477 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.5 p -67.95 153.69 94.87 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.38 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 129' ' ' LEU . 36.2 Cg_exo -59.43 -22.65 66.97 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.989 2.46 . . . . 0.0 112.333 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.42 -25.73 65.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.207 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.43 1.73 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.754 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 126' ' ' PRO . 61.2 mt -73.58 133.79 43.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.876 0.37 . . . . 0.0 111.135 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.12 91.12 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.39 0.614 . . . . 0.0 110.156 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HD22 ' A' ' 135' ' ' LEU . 21.0 pt -143.16 -174.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.168 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.617 ' HD2' ' OD2' ' A' ' 134' ' ' ASP . 4.7 tpp85 -54.38 123.16 12.11 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 171.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.84 -20.75 64.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.111 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.617 ' OD2' ' HD2' ' A' ' 132' ' ' ARG . 10.0 m-20 -69.24 -35.13 75.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 103' ' ' LEU . 6.3 tt -82.35 -35.67 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.949 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -55.4 -38.23 68.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.065 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 3.1 p -70.6 -35.19 72.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.908 0.385 . . . . 0.0 111.16 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -68.92 -18.28 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.169 0.509 . . . . 0.0 110.537 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 87.0 mmm -77.65 -18.61 56.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.408 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.68 -0.24 54.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.985 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.517 ' HB2' ' NH1' ' A' ' 111' ' ' ARG . 85.4 m-85 -92.7 -2.93 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.15 173.93 6.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 110.966 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.83 153.87 21.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.112 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -129.61 118.58 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.269 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' A' ' 39' ' ' ILE . 18.6 m-85 -103.16 120.07 40.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.649 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.58 115.1 16.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.61 131.31 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.264 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 148' ' ' LYS . 50.4 tptt 60.31 85.15 0.19 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.899 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 C--O 1.253 1.229 0 C-N-CA 122.946 2.431 . . . . 0.0 112.001 -178.837 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.94 0.4 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.44 50.11 0.35 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.571 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -84.1 108.84 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -141.24 178.26 7.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.144 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -132.64 90.62 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.275 1.036 . . . . 0.0 110.119 172.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -153.62 138.92 17.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.921 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -111.35 153.07 26.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -87.1 63.73 8.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.311 0.576 . . . . 0.0 109.568 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 m -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.453 0.644 . . . . 0.0 111.253 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.876 ' HB3' ' HB3' ' A' ' 76' ' ' PRO . 14.0 m-70 -145.99 86.74 1.72 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 175.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.2 ttt -139.72 -65.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.11 94.49 7.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.256 0.55 . . . . 0.0 112.065 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -130.32 135.0 26.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.088 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.44 100.87 0.06 OUTLIER 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.872 2.381 . . . . 0.0 112.009 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -102.67 94.51 5.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.689 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -138.18 121.51 17.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.691 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' HD22 ' A' ' 20' ' ' LEU . 7.2 p-10 -94.15 -15.3 24.77 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.095 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt 69.71 -65.14 0.32 Allowed 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.657 0.598 . . . . 0.0 110.525 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.15 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 55.0 t80 -167.53 -64.33 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 169.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.15 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 2.5 pt? -145.39 18.63 1.53 Allowed 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.528 1.531 . . . . 0.0 108.898 -17.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 98.05 0.09 OUTLIER Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.39 -0.823 . . . . 0.0 114.716 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 22' ' ' THR . 19.6 m -149.86 7.09 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.878 0.847 . . . . 0.0 109.414 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -126.27 99.18 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.221 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.9 m120 -87.62 -2.65 58.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.051 -171.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.48 -47.92 66.24 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.7 mt-10 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.134 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.42 -35.85 68.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.445 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 24' ' ' ASN . 57.4 t -69.53 -32.82 54.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.188 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.97 -24.86 62.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.284 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 26' ' ' GLU . 77.9 t -61.72 -57.38 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.382 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 32' ' ' ARG . 2.1 pp 43.27 -157.74 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.152 0.908 . . . . 0.0 112.688 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.641 ' HG2' HD12 ' A' ' 31' ' ' LEU . 15.0 mmt180 65.56 -176.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.405 0.621 . . . . 0.0 112.443 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -141.23 171.14 14.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.491 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HB2' ' CD1' ' A' ' 56' ' ' TRP . 19.3 pttm -90.0 177.8 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -152.88 115.12 4.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.34 -169.22 54.81 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.378 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.605 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 73.8 mt-30 -110.04 -58.97 1.99 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.047 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' CD2' ' A' ' 110' ' ' PHE . 75.2 m-85 -104.86 93.04 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 42.9 mm -119.21 126.15 75.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.998 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -109.11 124.22 50.45 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.63 135.6 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 0.0 111.464 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 4.4 p-90 -143.69 174.77 10.5 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.63 -113.19 2.07 Favored Glycine 0 CA--C 1.506 -0.509 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.563 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -146.49 -63.55 0.3 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.06 164.75 28.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.645 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.76 -95.97 2.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.405 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.6 -170.09 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.34 -134.03 8.22 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.521 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -163.35 87.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.331 0.586 . . . . 0.0 109.644 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.6 ' HA ' HD13 ' A' ' 53' ' ' LEU . 6.9 m -69.77 -13.08 62.1 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.116 -170.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -61.19 -36.34 79.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.439 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 147' ' ' VAL . 3.9 pp -74.0 -26.66 60.56 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.637 -178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.9 mp -66.66 -39.83 88.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.187 0.518 . . . . 0.0 109.739 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.53 -45.43 94.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.501 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.28 98.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.384 0.611 . . . . 0.0 111.13 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 72.8 t90 -60.1 -39.35 85.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.528 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 69' ' ' TYR . 73.2 t -72.91 -45.76 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.029 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.2 91.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.227 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 61.0 tp60 -57.89 -44.97 87.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.196 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' CD2' ' A' ' 86' ' ' TYR . . . -63.83 -41.25 97.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.27 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.1 mt -58.85 -42.6 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.055 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.83 -27.35 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.207 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.067 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.45 23.95 41.54 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.16 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -121.28 158.54 27.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 50.8 t30 -83.71 134.27 34.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -174.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.1 144.93 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.286 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.07 36.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.999 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 57' ' ' VAL . 89.6 t80 -104.98 107.74 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.27 125.56 73.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.178 0.514 . . . . 0.0 111.636 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.58 100.0 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -60.17 -21.55 61.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -171.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HB2' ' HG3' ' A' ' 94' ' ' LYS . . . -88.17 -2.8 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -132.66 -23.73 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 111.158 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mtm -132.11 143.74 50.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.876 ' HB3' ' HB3' ' A' ' 10' ' ' HIS . 61.1 Cg_endo -82.06 152.85 16.56 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.34 2.027 . . . . 0.0 113.273 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.5 tp -82.17 143.63 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.09 158.87 43.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -177.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -63.91 -16.24 60.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.04 0.448 . . . . 0.0 110.623 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.33 -24.37 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.311 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.1 -23.8 49.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.227 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.38 -12.78 61.64 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.19 -22.87 51.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.282 0.563 . . . . 0.0 110.775 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -94.15 139.45 30.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.203 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -82.09 -33.19 29.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.154 174.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 9.7 m-85 -106.32 115.99 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.678 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.628 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -113.22 116.95 30.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.91 117.49 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.61 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.08 123.87 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.34 141.86 34.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 25.0 mt-30 68.12 60.08 0.42 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 110.89 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 120' ' ' LEU . 41.3 t -70.26 -22.94 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.684 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.66 -15.14 57.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.088 0.471 . . . . 0.0 111.12 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 29.7 mmmt -82.91 -1.0 51.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.4 144.03 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.412 . . . . 0.0 111.105 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.63 -76.01 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.455 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -157.29 -51.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.386 -0.479 . . . . 0.0 111.458 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.73 -34.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 109.803 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.1 -35.34 80.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.512 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -68.46 -38.55 81.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.57 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.329 0.585 . . . . 0.0 110.177 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.69 -51.6 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.444 177.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -57.22 -44.67 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -52.65 -45.37 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.104 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -66.16 -33.92 76.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.083 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 103' ' ' LEU . 69.2 mt -61.84 -44.42 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.608 ' HZ ' ' HE3' ' A' ' 139' ' ' MET . 11.0 m-85 -58.95 -42.99 91.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.659 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 50.3 t30 -57.94 -48.22 80.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.136 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.58 -44.27 80.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.628 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.4 m-30 -61.57 -56.5 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 111.264 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -75.72 -18.43 59.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.159 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.659 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.3 t-20 -70.23 -49.69 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 0.0 110.359 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.3 m -84.39 -30.96 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.354 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 98.24 29.28 7.62 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -132.86 -164.15 1.44 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 114.573 -0.814 . . . . 0.0 109.745 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.434 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 101.45 127.42 6.09 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.195 -1.002 . . . . 0.0 113.682 173.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.605 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 57.7 m-85 -118.73 126.36 51.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 24.4 tp -133.16 141.13 47.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.144 0.497 . . . . 0.0 110.953 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.569 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 55.2 tp -145.32 103.09 3.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.328 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 92' ' ' VAL . 89.5 mt -115.84 143.94 44.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.643 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.65 132.25 6.39 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.6 t -151.94 36.74 0.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.977 0.389 . . . . 0.0 110.459 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 53.85 -48.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.042 1.737 . . . . 0.0 115.075 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.8 -179.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 118.31 0.504 . . . . 0.0 110.357 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -89.15 161.19 41.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.115 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.422 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.0 Cg_exo -60.36 -27.5 84.98 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.884 2.389 . . . . 0.0 112.545 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -94.29 4.56 53.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -106.39 -29.17 9.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 146.29 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.35 80.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.391 0.615 . . . . 0.0 109.801 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.3 pt -115.52 -176.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.523 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -67.16 131.92 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 136' ' ' ARG . 14.9 tt0 -62.22 -20.45 64.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -173.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.35 -41.61 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.253 0.549 . . . . 0.0 110.417 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.05 -32.48 39.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.538 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HB3' ' HA ' ' A' ' 133' ' ' GLU . 66.0 ttt-85 -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.48 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 t -67.91 -28.15 67.25 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.957 0.408 . . . . 0.0 110.758 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 22.1 mmt180 -73.76 -28.86 61.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.384 176.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.608 ' HE3' ' HZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -61.98 -20.89 64.35 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.735 -178.47 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.96 -3.83 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.64 2.15 51.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.03 150.72 38.82 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.699 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.04 154.62 28.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.581 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.15 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.022 0.439 . . . . 0.0 110.291 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -117.04 126.91 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.841 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.8 115.53 28.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.513 HG11 HD21 ' A' ' 52' ' ' LEU . 7.2 p -131.24 141.5 45.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.721 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -123.86 151.11 64.1 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.306 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.99 2.46 . . . . 0.0 112.53 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.14 51.0 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.749 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -102.11 92.24 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -145.47 121.54 10.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.709 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -108.1 98.84 8.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -73.44 161.81 29.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 112.314 -171.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -122.29 149.0 44.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.074 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 p -160.93 102.82 1.3 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.802 0.334 . . . . 0.0 110.649 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -134.79 128.99 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -166.21 145.93 6.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.301 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -175.97 143.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.745 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -145.4 86.35 7.51 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.316 0.579 . . . . 0.0 110.508 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.27 107.07 2.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.949 2.433 . . . . 0.0 111.917 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -114.86 89.24 3.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.113 0.482 . . . . 0.0 110.137 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -134.99 121.7 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -167.26 107.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -83.75 168.07 16.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.524 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.732 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 1.1 t80 -177.57 82.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -170.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.732 ' C ' ' HA ' ' A' ' 19' ' ' PHE . 32.4 mt 19.68 89.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 128.761 2.825 . . . . 0.0 117.112 11.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.53 94.08 0.34 Allowed Glycine 0 C--O 1.224 -0.524 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.895 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -141.86 121.99 13.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 111.634 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -152.35 113.46 4.23 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.107 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -89.52 0.81 56.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.182 -172.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.57 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.443 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.1 mt-10 -52.72 -48.8 66.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.963 0.411 . . . . 0.0 110.731 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -35.84 81.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.162 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.24 -33.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.433 0.635 . . . . 0.0 110.571 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.07 -23.24 59.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.466 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 26' ' ' GLU . 47.4 t -76.14 -51.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 2.4 pt? -73.01 149.51 43.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 112.694 -166.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.848 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 8.2 mmt180 -127.33 -85.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.586 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.91 -164.74 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.185 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HA ' ' HD1' ' A' ' 56' ' ' TRP . 17.2 ptpt -119.64 -171.46 2.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.56 -35.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.432 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -159.95 25.79 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.325 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 59.7 tt0 -98.89 -48.55 4.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.773 0.321 . . . . 0.0 110.657 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -123.42 92.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG22 HG13 ' A' ' 41' ' ' VAL . 50.4 mm -121.83 124.9 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.168 0.508 . . . . 0.0 111.32 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 41.8 t80 -108.04 115.03 29.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.031 172.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 145' ' ' TYR . 3.0 m -123.88 102.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -86.13 118.24 25.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.345 0.593 . . . . 0.0 110.499 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HB ' ' A' ' 147' ' ' VAL . . . 179.33 -168.95 39.89 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.498 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 60.17 -165.17 0.21 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.647 0.379 . . . . 0.0 111.201 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -167.31 -83.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.593 ' HA2' ' HB3' ' A' ' 49' ' ' LYS . . . -145.92 -158.06 7.56 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.087 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.24 -74.94 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.464 0.706 . . . . 0.0 110.445 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' HIS . . . -111.61 52.37 0.64 Allowed Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 172.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HB3' ' HA2' ' A' ' 46' ' ' GLY . 14.7 ptmm? -61.84 151.29 34.83 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.467 -0.367 . . . . 0.0 111.818 -172.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m 63.05 34.08 14.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.644 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 48' ' ' GLY . 9.0 t-80 -68.89 -53.7 19.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.889 -173.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.6 -26.84 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.874 0.369 . . . . 0.0 110.485 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 119' ' ' LEU . 36.9 tp -66.99 -51.38 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.46 ' HG3' HG13 ' A' ' 30' ' ' VAL . 11.0 pt20 -66.44 -33.94 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 110.571 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.848 ' HB1' ' HB2' ' A' ' 32' ' ' ARG . . . -59.24 -30.38 68.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.701 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.638 ' HD1' ' HA ' ' A' ' 34' ' ' LYS . 70.8 t90 -79.97 -41.62 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.427 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 69' ' ' TYR . 46.3 t -59.87 -51.53 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.107 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -64.35 -30.15 71.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.974 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -64.51 -40.75 96.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.17 61.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.2 mt -63.85 -49.11 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.168 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.78 -12.72 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.075 0.464 . . . . 0.0 111.089 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.521 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.18 60.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.292 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -95.82 179.53 5.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -105.53 133.26 50.57 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.15 141.85 27.89 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.544 -176.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.83 129.88 30.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.605 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' HG21 ' A' ' 57' ' ' VAL . 45.7 p90 -109.97 128.25 55.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.68 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.8 mt -125.79 127.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.193 0.52 . . . . 0.0 111.108 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 10.1 t70 -101.48 106.31 17.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.42 63.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.1 11.67 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.354 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -135.07 -37.87 0.79 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.3 0.572 . . . . 0.0 110.219 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.5 mtm -138.61 143.95 40.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.478 -176.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.88 160.84 18.63 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.323 2.015 . . . . 0.0 111.66 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 102' ' ' LEU . 47.9 tp -73.41 142.8 46.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 p -130.14 160.25 34.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.37 0.605 . . . . 0.0 111.889 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.58 -22.62 66.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.303 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.0 65.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.494 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.27 -18.16 47.25 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 45.1 m-85 -75.67 -13.72 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.609 0.242 . . . . 0.0 111.547 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.65 -23.87 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.663 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.21 141.16 31.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -86.03 -37.29 19.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.417 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 9.1 m-85 -107.65 114.11 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.052 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.775 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -110.54 133.81 52.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.467 . . . . 0.0 111.273 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.4 113.44 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.7 t -111.02 127.51 68.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 19.0 t70 -106.77 126.08 51.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.724 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 43.6 mt-30 72.67 109.49 0.07 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.051 0.844 . . . . 0.0 111.562 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.1 -28.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.192 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.01 -26.64 68.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 22.7 mmmt -81.52 -8.6 59.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.889 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -74.36 134.56 42.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.39 -118.28 0.9 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.113 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -106.15 -55.18 2.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.832 0.316 . . . . 0.0 110.964 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.47 -42.55 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.799 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' HB3' HD22 ' A' ' 95' ' ' LEU . 2.0 mp0 -59.8 -42.46 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.145 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.65 -36.95 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.901 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.43 83.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.49 -49.03 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.327 177.2 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HD11 ' A' ' 135' ' ' LEU . 0.6 OUTLIER -56.52 -44.92 81.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.17 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.3 -44.51 68.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.878 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.426 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 2.5 t -68.32 -32.42 72.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.261 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 103' ' ' LEU . 72.4 mt -62.87 -45.56 98.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.34 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -59.93 -40.14 87.89 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.576 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.628 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 8.4 t30 -58.82 -47.79 83.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.758 177.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 109' ' ' ARG . 13.4 ttp180 -60.24 -46.72 88.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.674 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.775 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -65.85 -50.02 66.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.562 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 111' ' ' ARG . 4.2 tpm_? -68.73 -35.28 76.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.731 0.3 . . . . 0.0 111.218 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.628 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 t-20 -71.64 -41.23 69.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.121 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.5 m -85.69 -22.38 27.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.63 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 19.07 79.1 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -134.84 174.61 10.39 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 93.02 152.33 29.06 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 67.9 m-85 -125.79 140.44 52.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.775 0.322 . . . . 0.0 110.629 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.7 tp -139.35 139.47 37.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.323 0.582 . . . . 0.0 110.396 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 53' ' ' LEU . 53.2 tp -134.52 123.64 24.24 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.221 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.1 mt -123.1 113.27 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.36 -54.1 2.92 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.5 m 65.53 -159.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.903 -0.649 . . . . 0.0 111.969 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -122.84 -32.49 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.124 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 85.2 m-85 -133.87 -87.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -163.34 153.87 13.73 Favored Pre-proline 0 N--CA 1.466 0.364 0 C-N-CA 122.297 0.239 . . . . 0.0 110.385 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.577 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 14.7 Cg_exo -67.67 -29.52 36.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.678 2.252 . . . . 0.0 112.632 -174.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.74 -15.98 27.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.681 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -102.76 -23.11 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.362 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 125' ' ' THR . 61.0 mt -60.61 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.015 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.8 77.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.72 0.771 . . . . 0.0 109.517 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.7 pt -119.22 -173.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.444 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -61.69 133.42 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.239 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.23 -24.77 60.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.499 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -73.14 -34.22 65.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 103' ' ' LEU . 41.7 tp -83.02 -47.42 11.73 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -61.12 -23.32 65.43 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 p -75.66 -28.55 58.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.949 0.404 . . . . 0.0 110.973 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -77.74 -16.55 58.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.419 0.628 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 25.8 mmt -67.77 -18.73 64.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.692 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.54 -12.57 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.897 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -81.5 -1.14 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.958 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.71 151.78 25.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.33 154.55 27.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.591 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.86 123.55 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.85 0.357 . . . . 0.0 110.631 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.5 ' HB2' HG12 ' A' ' 41' ' ' VAL . 97.9 m-85 -126.36 136.22 52.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.716 175.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -83.76 130.24 34.94 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.54 ' HB ' ' HA3' ' A' ' 43' ' ' GLY . 48.8 t -111.25 92.84 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -151.26 87.4 4.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.18 2.587 . . . . 0.0 111.829 176.726 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.811 0.339 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.15 -175.87 38.41 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.332 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -129.1 143.21 50.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -132.49 131.68 41.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.4 m170 69.1 112.79 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.864 0.727 . . . . 0.0 111.519 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -146.59 152.23 38.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.351 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -139.97 165.01 28.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 111.188 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -137.98 114.0 9.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.369 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -116.72 139.41 50.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.644 0.259 . . . . 0.0 110.693 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -135.55 136.88 41.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.08 85.05 2.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.01 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -112.51 144.6 41.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.676 0.274 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.1 m-85 -75.57 114.72 38.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.243 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 37.2 Cg_exo -58.86 -37.51 93.37 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.044 2.496 . . . . 0.0 113.361 -175.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -138.81 152.38 47.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 179.84 80.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.024 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -165.39 106.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 19' ' ' PHE . 55.7 tttp -179.92 153.9 0.54 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.458 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.078 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 12.3 t80 -141.74 -68.32 0.38 Allowed 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.078 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 13.4 mt -132.17 104.7 6.92 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.824 2.05 . . . . 0.0 109.107 -20.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.15 -123.25 7.86 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.64 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 23' ' ' GLU . 28.9 m 74.93 167.86 0.29 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.856 0.462 . . . . 0.0 110.295 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' HG22 ' A' ' 22' ' ' THR . 39.0 mt-10 74.03 64.52 0.08 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.467 0.651 . . . . 0.0 109.76 -176.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -107.47 19.66 19.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.909 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -25.52 66.79 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.668 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 30' ' ' VAL . 39.0 mt-10 -62.62 -30.6 71.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.4 -34.7 61.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.107 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -62.56 -32.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.175 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.6 -38.0 88.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.622 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 26' ' ' GLU . 57.4 t -70.55 -45.56 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.143 -172.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.83 -174.03 0.2 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 70.5 36.6 1.66 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.777 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -130.91 100.32 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.844 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG2' ' CD ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -121.04 132.1 54.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.019 -178.602 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -136.67 178.75 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 -170.48 4.67 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 123.444 0.465 . . . . 0.0 114.241 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 49.3 mt-30 -66.91 -85.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 97.2 m-85 -85.8 99.97 11.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.447 -175.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 145' ' ' TYR . 45.8 mm -129.29 128.43 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -174.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.67 129.39 56.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.424 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 145' ' ' TYR . 30.4 m -121.81 145.4 28.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.647 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -81.15 -76.95 0.22 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.662 ' HA2' ' HB ' ' A' ' 147' ' ' VAL . . . 99.18 -174.48 27.48 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.606 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -49.58 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.605 0.24 . . . . 0.0 110.678 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 174.23 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.069 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.1 69.58 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.95 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.51 137.43 45.61 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 9.53 57.48 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.62 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttp 53.29 83.39 0.07 Allowed 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.747 0.819 . . . . 0.0 112.216 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m 57.34 24.54 10.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.584 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -54.88 -33.11 61.6 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -172.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 tp -76.11 -45.42 33.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.002 0.43 . . . . 0.0 110.961 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.4 mp -73.45 -35.78 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.542 -175.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.98 89.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 49.8 t90 -74.19 -34.86 63.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.768 -175.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 69' ' ' TYR . 44.2 t -72.16 -44.87 64.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.203 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.03 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.614 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.95 -29.25 66.33 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.853 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.01 73.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 110.132 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.0 -44.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.681 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.16 -14.65 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.918 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.47 1.4 48.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.974 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.81 29.74 57.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.747 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -123.06 155.33 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 29.8 t-20 -80.82 133.67 35.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -154.95 142.86 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.31 138.14 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.607 ' HB3' HG21 ' A' ' 57' ' ' VAL . 13.1 p90 -114.26 132.04 56.28 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -128.37 120.14 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.09 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 74' ' ' SER . 10.1 p-10 -98.82 113.32 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -69.18 6.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.472 -173.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.92 -18.14 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 33.8 t -134.06 -15.6 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.276 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.516 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 71.6 mtm -138.51 144.02 40.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.578 0.227 . . . . 0.0 110.765 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 23.2 Cg_endo -90.82 158.25 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.081 2.521 . . . . 0.0 112.139 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 102' ' ' LEU . 41.7 tp -79.25 144.03 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -130.01 166.63 19.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.936 0.398 . . . . 0.0 111.164 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -73.96 -17.97 60.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -25.24 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.486 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.94 -25.71 58.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.252 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -69.93 -12.73 61.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.8 -25.63 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 111.023 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -86.12 151.97 23.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.686 -172.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -90.71 -35.83 14.68 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 14.6 m-85 -107.91 113.73 27.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.587 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -118.67 121.94 41.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.74 119.8 33.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.417 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.0 t -111.04 114.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.163 0.506 . . . . 0.0 110.177 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -93.25 131.44 38.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.112 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' A' ' 122' ' ' SER . 1.9 mp0 61.85 78.51 0.29 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.728 0.411 . . . . 0.0 111.045 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.485 HG12 ' OG ' ' A' ' 122' ' ' SER . 14.5 p -79.1 -19.16 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 109.796 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.635 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 7.9 pt-20 -61.04 -19.22 61.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.379 176.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.635 ' HD3' ' HG3' ' A' ' 93' ' ' GLU . 7.8 mptt -93.92 7.75 43.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -174.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 99' ' ' GLU . 77.1 mt -86.61 134.5 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.55 -87.63 1.68 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.292 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -105.88 -81.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.694 -172.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.13 -34.15 77.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.961 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.0 mp0 -65.8 -41.1 92.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.757 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 131' ' ' ILE . 22.7 tt0 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.13 -178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.86 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -67.0 -48.4 68.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.433 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 1.4 tm? -55.11 -45.88 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.45 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.74 -43.05 85.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.852 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.3 t -61.56 -38.14 86.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.353 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 102' ' ' LEU . 66.2 mt -59.26 -47.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.652 176.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -56.6 -45.39 81.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.788 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.7 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.9 t30 -60.59 -51.2 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.36 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -53.73 -45.91 70.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.545 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.587 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -73.59 -54.99 6.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.943 -176.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -65.49 -25.02 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.334 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.7 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.8 t-20 -75.2 -28.16 59.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 0.0 110.634 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 t -95.3 -43.76 7.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 -29.49 5.69 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -82.65 -165.05 0.95 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.979 -0.61 . . . . 0.0 110.601 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 96.87 128.76 5.96 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 56.6 m-85 -114.01 115.94 28.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -122.42 131.99 54.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.419 . . . . 0.0 110.225 -173.257 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 62.9 tp -134.34 120.95 20.53 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.714 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 98.9 mt -118.79 138.34 52.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -149.93 114.32 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.264 -0.97 . . . . 0.0 113.16 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.813 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 11.4 p 179.6 -171.15 0.15 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.264 0.625 . . . . 0.0 109.88 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 44.12 -163.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.335 1.022 . . . . 0.0 112.996 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -107.34 -33.52 7.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.53 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 1.1 p -158.34 155.33 25.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 129' ' ' LEU . 36.2 Cg_endo -66.46 -15.32 47.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -67.93 -21.44 65.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.501 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 125' ' ' THR . 3.2 pt20 -106.87 8.21 30.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 92' ' ' VAL . 10.4 mt -71.61 137.32 47.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 29.5 t -95.44 77.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.188 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 31.8 pt -132.34 156.55 42.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.272 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 132' ' ' ARG . 2.5 tpm_? -62.92 145.27 55.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 24.3 mp0 -61.61 -28.02 69.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 -175.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 19.0 m-20 -70.62 -22.75 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.968 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 139' ' ' MET . 7.2 tt -82.35 -33.61 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -65.43 -33.95 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.722 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.0 p -69.06 -34.84 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.666 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 18.9 mmt180 -69.2 -27.84 65.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.8 mmm -64.82 -21.67 66.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.088 0.471 . . . . 0.0 111.138 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.72 -6.27 51.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.522 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 74.6 m-85 -92.6 8.56 38.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.422 . . . . 0.0 110.12 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 59.2 m -117.6 167.29 11.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.509 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.41 154.29 18.93 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 115.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.991 0.424 . . . . 0.0 110.206 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 39' ' ' ILE . 2.8 m-85 -99.68 118.3 35.89 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.77 112.64 18.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.333 0.587 . . . . 0.0 110.656 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.662 ' HB ' ' HA2' ' A' ' 43' ' ' GLY . 44.4 t -95.33 100.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 148' ' ' LYS . 0.7 OUTLIER -73.53 147.74 87.38 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.131 -174.499 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 C--O 1.25 1.114 0 C-N-CA 122.249 1.966 . . . . 0.0 111.255 170.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.693 0.282 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.43 98.13 0.55 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.05 89.16 3.05 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -176.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -84.11 86.32 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -70.12 130.21 41.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.773 176.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -142.8 134.7 26.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -143.44 134.28 25.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.887 0.375 . . . . 0.0 111.076 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -136.17 150.69 49.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.479 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -112.46 122.43 47.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.412 . . . . 0.0 111.082 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -115.42 131.83 56.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.517 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 1.7 mpt? -59.75 121.78 12.54 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.433 0.458 . . . . 0.0 111.469 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -89.92 76.36 7.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 75.6 m-85 -130.17 87.36 51.35 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -73.12 -25.47 15.97 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.885 2.39 . . . . 0.0 113.003 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 m 62.95 87.86 0.1 Allowed 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.558 0.537 . . . . 0.0 110.22 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.58 151.74 23.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.075 0.464 . . . . 0.0 111.725 -174.303 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -95.43 -10.29 30.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.561 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 12.4 mptt -74.75 -82.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -175.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.095 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 87.9 m-85 -135.35 -65.84 0.59 Allowed 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.095 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 6.9 mt -109.41 93.82 4.71 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.221 -18.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.57 -67.28 3.38 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.642 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -78.53 98.87 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.419 1.104 . . . . 0.0 111.927 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -169.57 101.96 0.33 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.458 -1.701 . . . . 0.0 108.164 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.592 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 93.9 m-20 -88.69 43.38 1.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 -168.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.11 71.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.471 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 39.9 mt-10 -67.43 -25.32 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.475 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 24' ' ' ASN . 58.0 tp -71.63 -44.18 64.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 24' ' ' ASN . 70.9 t -62.03 -33.01 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.271 0.558 . . . . 0.0 110.148 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 69.9 t80 -57.6 -28.47 63.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.219 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.73 -37.97 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.778 0.323 . . . . 0.0 111.48 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.72 127.71 32.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.692 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -132.57 -80.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.674 176.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -171.45 150.69 2.88 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -149.48 140.83 23.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.435 0.16 . . . . 0.0 110.889 -179.061 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -166.43 123.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.983 0.513 . . . . 0.0 110.065 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.45 174.76 13.77 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.305 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -126.44 -38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.611 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -133.31 81.52 1.94 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.963 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.6 mt -131.47 133.32 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.502 0.668 . . . . 0.0 111.822 -174.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -108.42 121.67 45.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.139 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 26.5 m -112.55 143.51 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.015 0.436 . . . . 0.0 110.511 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 122' ' ' SER . 13.5 p-90 -134.75 153.24 52.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.79 178.28 15.48 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.488 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 6.4 tp10 -144.79 10.55 1.37 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.62 0.724 . . . . 0.0 109.243 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.701 ' HB2' HG23 ' A' ' 147' ' ' VAL . 1.9 mp0 -60.96 113.26 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.802 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.93 -2.44 33.67 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.75 87.0 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 145.32 70.3 0.02 OUTLIER Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.346 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -64.52 -36.86 85.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.215 0.531 . . . . 0.0 109.955 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -91.98 8.58 36.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.392 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -68.82 -51.31 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.861 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.57 -26.49 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.34 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -43.83 91.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.233 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.37 -37.06 82.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.507 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.68 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.5 . . . . 0.0 110.304 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 46.0 t90 -65.96 -41.89 90.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.529 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 69' ' ' TYR . 77.4 t -67.21 -46.0 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.073 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.98 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.929 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.31 -34.55 78.24 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.397 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.72 77.82 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.918 0.39 . . . . 0.0 110.203 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 63.6 mt -60.01 -48.01 83.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.982 177.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.61 -16.31 62.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.12 0.91 50.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.755 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.68 9.18 81.71 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.263 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -99.14 159.94 14.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 18.4 t-20 -90.58 133.58 34.99 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -154.17 145.84 23.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 -176.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.65 139.47 21.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.864 0.364 . . . . 0.0 111.271 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.6 p90 -109.32 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.71 125.77 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.39 -173.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.06 109.76 22.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.27 60.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -172.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.82 -41.0 13.56 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -98.39 -27.38 14.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -125.7 144.56 48.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -82.49 153.63 15.81 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.563 2.176 . . . . 0.0 111.942 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 102' ' ' LEU . 27.7 tp -81.92 143.57 31.56 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 165.45 27.19 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.97 -172.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -66.24 -21.22 66.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.351 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.27 -25.12 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.735 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.87 -20.12 64.82 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.093 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -75.46 -14.51 60.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.92 -24.29 35.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.554 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.566 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -84.4 145.04 28.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.701 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -92.17 -33.2 14.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.306 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.428 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.7 m-85 -108.05 109.56 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.984 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.73 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.6 mm? -110.37 123.78 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 0.0 111.352 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.26 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.845 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.39 118.41 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -102.46 136.08 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.834 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 45.0 mt-30 64.08 61.69 0.91 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.713 0.633 . . . . 0.0 111.486 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.36 -30.24 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.781 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 129' ' ' LEU . 11.0 pt-20 -66.95 -19.17 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.623 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -94.8 12.74 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.909 -175.092 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -67.17 153.3 44.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 176.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.39 -81.48 1.6 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.911 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -150.48 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.176 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.37 -35.48 73.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.706 0.765 . . . . 0.0 109.775 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 99' ' ' GLU . 25.8 mp0 -62.04 -33.95 75.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.384 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.8 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.375 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.536 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.11 -47.8 72.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.625 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -55.5 -47.25 76.51 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.6 178.429 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.35 -41.16 84.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.3 m -62.95 -32.9 74.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.888 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.528 HD12 HD22 ' A' ' 103' ' ' LEU . 70.5 mt -63.11 -47.24 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.373 175.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -58.42 -44.28 89.0 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.982 0.42 . . . . 0.0 110.358 174.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 55.6 t30 -56.54 -44.33 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.757 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -62.0 -54.24 44.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.73 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 21.5 m-30 -66.58 -40.88 89.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.552 -174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -66.04 -40.16 90.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.794 0.33 . . . . 0.0 110.724 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.648 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 m-20 -75.12 -38.8 60.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.697 -176.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 t -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 0.0 111.378 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.77 -25.03 26.92 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 116' ' ' GLY . 64.8 tttp -90.73 172.53 8.58 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 115' ' ' LYS . . . 94.48 151.57 28.4 Favored Glycine 0 C--N 1.313 -0.699 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.973 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.403 ' HB3' ' HZ2' ' A' ' 56' ' ' TRP . 58.3 m-85 -128.18 136.04 50.56 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.447 HD13 ' HE2' ' A' ' 110' ' ' PHE . 21.8 tp -129.09 136.42 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.443 0.639 . . . . 0.0 110.732 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.6 tp -131.35 111.9 12.26 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.765 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.82 132.95 52.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.599 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -127.41 148.39 17.47 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.743 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -164.36 175.2 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -99.63 -24.39 14.75 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.539 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -109.4 -173.43 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.607 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 p -95.44 153.67 39.5 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.5 Cg_exo -58.8 -31.05 94.41 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.33 2.687 . . . . 0.0 114.107 -171.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.1 -6.6 59.0 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -128.24 13.61 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.725 0.298 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 93' ' ' GLU . 78.7 mt -70.96 154.88 41.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.303 175.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.67 80.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.19 0.519 . . . . 0.0 110.121 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -139.22 161.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.596 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -80.52 168.6 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 111.333 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 17.0 mp0 -56.18 -56.73 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.034 -168.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.12 -39.82 83.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.469 HD11 HD12 ' A' ' 103' ' ' LEU . 40.2 tp -71.4 -35.1 70.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.114 0.483 . . . . 0.0 110.127 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -61.59 -40.26 94.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.381 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.0 p -72.4 -37.3 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.893 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 9.6 mmt180 -63.36 -33.95 76.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.841 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.249 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.59 -12.17 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.756 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 26.2 m-85 -80.91 -16.02 54.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.468 . . . . 0.0 110.383 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.7 t -90.24 144.14 26.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.482 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.45 156.22 35.33 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.65 116.54 48.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.683 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 83.6 m-85 -131.22 155.71 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.497 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' ' 148' ' ' LYS . 3.6 pt-20 -135.85 150.97 49.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.199 -177.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' A' ' 45' ' ' GLU . 14.3 m -84.55 -2.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.55 ' C ' ' HD2' ' A' ' 148' ' ' LYS . 0.3 OUTLIER -68.7 159.58 81.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 175.235 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo . . . . . 0 C--O 1.251 1.131 0 C-N-CA 122.845 2.364 . . . . 0.0 111.726 175.677 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.826 0.346 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.67 89.31 0.48 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.52 141.34 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.738 0.304 . . . . 0.0 111.196 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -143.66 118.49 9.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.804 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -81.14 127.23 32.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.47 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.86 116.58 29.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.459 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -151.22 102.44 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.974 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -161.99 131.72 4.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.065 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -118.98 155.77 30.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.634 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -115.23 146.18 41.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -118.08 113.93 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 111.032 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -116.33 103.65 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.696 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -114.65 104.66 54.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.847 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -93.76 112.14 0.2 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.32 2.68 . . . . 0.0 112.593 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 p -131.73 96.88 4.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.191 0.52 . . . . 0.0 110.629 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.53 169.86 9.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.064 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -142.5 129.74 21.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.71 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -88.02 -166.61 1.63 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.014 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 21.4 t80 -136.37 -68.16 0.5 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 167.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.014 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 3.1 pp -116.34 0.33 12.79 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.12 1.368 . . . . 0.0 107.616 -22.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.05 145.41 9.64 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.098 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -84.11 130.44 34.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.8 0.8 . . . . 0.0 111.339 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -174.67 99.67 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.709 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.56 16.46 7.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.08 66.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.794 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.9 mt-10 -56.7 -38.45 72.32 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.22 -44.67 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.94 -33.47 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.263 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.97 -42.0 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.368 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' GLU . 72.8 t -64.07 -49.85 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.311 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 4.2 pp -75.15 173.15 11.17 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.057 0.456 . . . . 0.0 111.782 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -157.88 -81.56 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.299 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -179.79 136.68 0.12 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 146.47 23.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 110.579 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -126.09 139.0 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.527 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.15 -136.6 48.27 Favored Glycine 0 N--CA 1.454 -0.119 0 O-C-N 123.61 0.569 . . . . 0.0 113.193 173.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 5.7 pt20 -134.51 -85.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.284 0.042 . . . . 0.0 110.928 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 117' ' ' PHE . 98.7 m-85 -73.29 99.38 2.88 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 177.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mm -111.09 122.08 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.636 0.731 . . . . 0.0 110.989 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.721 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 58.2 t80 -125.42 130.34 51.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.322 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.16 117.5 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.024 0.44 . . . . 0.0 110.851 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CD2' HG22 ' A' ' 125' ' ' THR . 0.3 OUTLIER -85.29 92.88 8.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.658 0.742 . . . . 0.0 110.927 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.18 55.4 4.94 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.119 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.685 ' HG2' ' HA ' ' A' ' 124' ' ' TYR . 58.7 mt-10 -72.2 92.12 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.301 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -167.36 -61.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.27 -29.04 2.65 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.439 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.11 -53.22 28.81 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.453 0.301 . . . . 0.0 111.37 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.06 56.73 19.64 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.47 174.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.823 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -86.57 100.42 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.029 0.443 . . . . 0.0 110.819 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.1 m -86.84 17.72 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.497 0.665 . . . . 0.0 110.441 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -61.52 -34.69 75.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.171 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.38 -30.45 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD12 HD23 ' A' ' 119' ' ' LEU . 14.4 tp -64.63 -42.71 95.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.38 -37.2 71.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.578 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HA ' ' HA ' ' A' ' 31' ' ' LEU . . . -59.27 -45.51 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.076 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.6 t90 -58.34 -38.97 78.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.277 -177.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 69' ' ' TYR . 59.2 t -63.1 -46.28 96.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.59 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ALA . 14.1 mm100 -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.119 0.485 . . . . 0.0 110.412 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.69 80.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 82.8 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.53 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.18 -28.58 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.321 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.19 -6.2 50.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.36 26.55 63.39 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.262 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -115.28 158.57 22.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 44.0 t30 -82.48 133.4 35.2 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.235 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.7 129.41 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.597 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.18 138.44 46.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.9 p90 -117.28 133.78 55.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 77' ' ' LEU . 73.4 mt -127.39 114.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.845 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.935 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 15.4 p-10 -94.13 102.03 14.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.795 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.78 61.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.547 -169.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.75 25.24 7.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.072 0.463 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 28.0 t -158.26 -36.51 0.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 48.1 mtm -126.05 145.23 51.46 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.387 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.19 153.72 41.1 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.214 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 70' ' ' ILE . 36.5 tp -76.15 144.18 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -131.54 153.93 49.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.383 . . . . 0.0 111.144 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.66 -15.45 60.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.892 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.14 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.338 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 87' ' ' LEU . . . -53.27 -24.25 11.04 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -66.96 -13.55 61.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -22.48 63.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.085 0.469 . . . . 0.0 111.111 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -102.13 149.15 24.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.477 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -88.3 -31.66 18.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.581 0.705 . . . . 0.0 109.425 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -99.32 106.77 18.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.609 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.0 mm? -111.98 130.63 55.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.84 26.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.6 125.52 59.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.935 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.2 t70 -100.11 120.36 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.747 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 61.67 94.74 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.774 0.797 . . . . 0.0 111.606 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.07 -25.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.738 -169.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -19.82 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.42 4.6 26.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -173.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.0 145.33 30.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.28 -82.99 0.73 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.77 -54.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.98 -36.57 79.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.91 -29.01 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.334 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -71.73 -35.81 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.055 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.69 77.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 0.0 110.052 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.7 tm? -64.84 -49.55 70.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.009 175.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.87 -45.03 82.76 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.348 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.481 ' HB2' HD13 ' A' ' 135' ' ' LEU . 86.5 t80 -52.0 -47.65 64.83 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.888 175.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -62.77 -35.7 80.69 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.379 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.4 mt -59.53 -49.95 81.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.4 -45.11 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.941 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 66.9 t30 -64.61 -46.2 83.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.766 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -55.68 -48.45 75.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 118' ' ' LEU . 17.2 m-30 -62.24 -44.11 97.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -65.57 -33.45 75.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -70.04 -43.45 71.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 -36.26 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.85 -9.97 58.59 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -137.94 172.96 12.16 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.6 150.16 7.93 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -171.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 24.3 m-85 -116.7 -76.41 0.57 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.354 -174.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 40.0 tp 70.96 142.12 0.05 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.872 0.844 . . . . 0.0 111.406 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 53' ' ' LEU . 66.8 tp -140.67 127.88 21.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.632 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.71 117.46 28.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.968 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.84 70.99 2.82 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -76.87 140.54 40.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.223 0.535 . . . . 0.0 111.611 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -91.15 -14.38 31.23 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.799 -179.721 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.685 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 64.0 m-85 -134.23 167.73 20.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 110.82 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 42' ' ' TRP . 22.5 p -76.83 160.27 77.02 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.594 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.07 -17.29 24.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.139 1.892 . . . . 0.0 111.257 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.84 -34.47 69.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.67 -4.66 22.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 125' ' ' THR . 85.0 mt -81.48 132.41 35.32 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.625 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.39 84.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.379 0.609 . . . . 0.0 110.026 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.21 176.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.214 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -73.32 148.94 43.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.56 -27.08 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.79 -176.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.28 -41.36 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 104' ' ' PHE . 62.1 tp -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.269 0.557 . . . . 0.0 109.851 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.359 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.4 m -66.94 -39.48 87.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.492 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 16.9 mmt180 -69.22 -14.06 62.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.713 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.55 -18.46 63.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.149 0.499 . . . . 0.0 110.781 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.97 3.79 40.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 23.2 m-85 -93.97 9.58 36.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.323 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.7 p -132.68 158.77 41.47 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.869 0.366 . . . . 0.0 110.699 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.67 154.18 21.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.799 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.721 ' HA ' ' O ' ' A' ' 40' ' ' TYR . 44.4 t -133.92 128.87 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.7 139.68 34.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.868 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLU . . . . . 0.562 ' OE1' ' HG2' ' A' ' 148' ' ' LYS . 7.4 tp10 -84.8 122.62 29.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 0.0 110.081 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.8 -2.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.969 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.562 ' HG2' ' OE1' ' A' ' 146' ' ' GLU . 19.5 ptpt -88.51 127.11 57.88 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.842 0.353 . . . . 0.0 110.298 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 5.9 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 123.065 2.51 . . . . 0.0 111.85 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tpt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.74 87.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.073 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.47 81.38 8.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.384 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -109.63 104.47 13.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.354 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -114.43 123.3 49.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.963 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -120.5 154.22 35.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.717 0.294 . . . . 0.0 111.456 -171.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -164.74 143.85 7.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.987 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -166.18 121.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -122.12 157.7 30.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -84.28 94.82 8.52 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 174.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.2 mtp -102.44 56.68 0.79 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -169.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 36.7 t70 -175.61 106.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -109.24 93.2 12.69 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.047 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -80.09 111.1 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.91 2.407 . . . . 0.0 112.305 -177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -79.46 118.2 21.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.308 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -133.57 161.95 33.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.196 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -144.18 140.89 29.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.891 ' HG2' HD12 ' A' ' 20' ' ' LEU . 41.9 tttp -164.47 117.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CA ' ' HB2' ' A' ' 20' ' ' LEU . 77.6 t80 176.11 93.34 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -167.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.891 HD12 ' HG2' ' A' ' 18' ' ' LYS . 28.3 mt 58.19 82.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.3 1.84 . . . . 0.0 113.05 18.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.8 64.74 0.19 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -128.74 23.57 5.78 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -169.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.08 113.17 12.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.586 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -105.57 0.42 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.32 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.49 71.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.458 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 34.2 mt-10 -70.13 -38.97 75.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.483 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.3 -39.87 78.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.35 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.84 -33.77 65.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.136 0.493 . . . . 0.0 110.507 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -65.89 -30.14 70.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.162 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' GLU . 65.2 t -67.16 -34.14 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.84 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.48 109.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.424 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.602 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 11.4 ttt180 -113.63 -168.41 1.34 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.193 -174.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -115.45 175.9 5.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.878 -0.146 . . . . 0.0 111.123 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' HE1' ' A' ' 56' ' ' TRP . 37.1 ttpt -118.46 -76.08 0.58 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -172.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.7 m80 66.04 69.33 0.44 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.01 -167.93 24.18 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.535 -0.84 . . . . 0.0 113.27 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.28 -53.48 0.96 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.087 0.47 . . . . 0.0 109.788 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 143' ' ' LEU . 67.6 m-85 -106.54 107.45 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 41' ' ' VAL . 69.3 mt -129.57 120.92 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 38.5 t80 -105.47 120.45 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 170.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.5 m -118.55 128.77 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -120.14 143.89 47.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.05 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.28 -151.64 23.41 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.907 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -131.94 114.63 14.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.77 0.319 . . . . 0.0 111.004 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.27 92.25 2.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 51' ' ' HIS . . . 92.42 19.43 38.42 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.992 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.98 -84.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.491 0.717 . . . . 0.0 112.102 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.93 7.34 9.38 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.555 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -104.7 137.37 42.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.736 0.303 . . . . 0.0 110.382 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 3.3 m -71.69 73.9 0.81 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.558 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CD2' ' HA3' ' A' ' 46' ' ' GLY . 10.1 m170 -61.43 -38.05 85.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 110.778 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.49 -51.27 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.806 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 6.7 mp -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.118 -171.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.67 -42.04 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.804 0.335 . . . . 0.0 110.705 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.602 ' HB1' ' HB2' ' A' ' 32' ' ' ARG . . . -66.27 -39.89 89.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 34.3 t90 -61.18 -42.95 99.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.783 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.5 t -67.55 -46.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.761 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.62 76.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.567 0.222 . . . . 0.0 111.249 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -68.27 -38.77 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.103 0.477 . . . . 0.0 110.589 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 65.7 mt -59.01 -48.85 80.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.62 -13.05 60.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 111.391 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.82 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.675 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.29 69.56 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.144 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -112.38 153.98 26.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.7 132.43 38.16 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.96 136.09 22.51 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.088 -173.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.45 17.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.632 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.6 p90 -111.69 125.95 54.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.8 mt -121.22 118.04 54.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.107 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 5.4 p-10 -89.0 120.76 30.7 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -73.74 -2.35 22.97 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.188 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.34 -42.8 16.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.542 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -115.34 -18.4 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.118 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 60.0 mtm -122.1 145.76 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 111.553 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.84 164.05 8.98 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.758 2.306 . . . . 0.0 111.662 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 106' ' ' ILE . 36.1 tp -88.83 144.21 26.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.945 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.6 p -123.38 157.25 33.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 110.69 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.54 -14.76 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.442 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -24.62 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.969 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.77 -19.77 60.01 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.12 -21.99 64.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.861 0.363 . . . . 0.0 111.158 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.84 -25.02 26.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.215 0.531 . . . . 0.0 110.756 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 110.69 19.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.829 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.02 -30.39 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 22.2 m-85 -97.87 93.04 6.12 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 42.3 tp -113.06 134.11 54.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.216 0.531 . . . . 0.0 110.57 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -125.18 126.8 45.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.956 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 58.9 t -120.85 117.28 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.912 0.387 . . . . 0.0 109.99 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 53' ' ' LEU . 12.2 t70 -101.09 130.42 47.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.26 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 40.3 mt-30 57.4 55.75 5.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.189 0.518 . . . . 0.0 111.061 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -56.96 -24.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.275 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.581 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 56.4 mmtt -85.93 -9.98 55.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.879 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 91.0 mt -61.89 139.36 58.38 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.734 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.53 -77.14 0.25 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.222 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.59 -59.89 0.13 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.32 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.9 mp0 -67.15 -32.09 72.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.49 -38.53 84.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.132 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.33 75.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.278 0.561 . . . . 0.0 110.487 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 39.7 tp -67.1 -47.75 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.135 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 135' ' ' LEU . 3.1 tm? -57.9 -44.19 86.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.728 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -52.63 -46.0 66.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -64.9 -41.19 95.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.498 HD12 HD21 ' A' ' 77' ' ' LEU . 70.3 mt -65.4 -44.92 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 178.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -40.71 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.245 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.682 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 59.5 t30 -59.55 -52.24 66.4 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.918 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.479 ' HD3' ' C ' ' A' ' 109' ' ' ARG . 1.1 tmt_? -55.22 -47.2 75.66 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.473 0.483 . . . . 0.0 111.006 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 3.8 m-30 -59.01 -54.59 45.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.459 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 38.6 tpt85 -72.23 -28.71 63.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.986 -176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -64.52 -44.51 90.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.272 178.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.6 t -78.43 -35.5 46.8 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.251 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.73 -28.52 13.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.622 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 79.6 tttt -104.86 171.89 7.08 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 120.21 122.27 2.97 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 69.7 m-85 -98.13 116.82 31.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 87' ' ' LEU . 17.1 tp -125.17 131.55 53.2 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.268 0.556 . . . . 0.0 110.242 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 53' ' ' LEU . 46.6 tp -123.74 109.65 13.95 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.334 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 80.5 mt -108.19 117.74 34.93 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.72 147.59 18.03 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.381 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.2 t -167.07 162.86 15.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.965 0.412 . . . . 0.0 110.119 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 2.3 pm0 -85.01 -21.44 29.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.329 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.406 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 80.7 m-85 -107.9 178.01 4.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.941 0.4 . . . . 0.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 19.2 p -101.03 153.86 37.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.757 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.686 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 58.5 Cg_endo -71.89 -15.02 29.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.754 2.302 . . . . 0.0 111.831 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -75.82 -13.76 60.29 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.865 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -145.62 23.61 1.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.303 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 125' ' ' THR . 59.7 mt -67.86 133.99 50.11 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.39 76.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.1 pt -139.93 -173.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.377 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.24 128.35 36.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.21 -20.42 63.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.096 0.474 . . . . 0.0 109.992 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 9.0 m-20 -58.72 -33.19 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.953 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' A' ' 139' ' ' MET . 19.5 mt -81.26 -43.36 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.89 176.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.88 -42.27 62.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.379 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -66.99 -32.78 74.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.767 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 14.7 mmt180 -75.89 -24.15 55.62 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.324 . . . . 0.0 110.788 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 26.5 mmt -65.85 -18.73 65.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.717 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.53 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.215 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 89.6 m-85 -97.44 10.56 39.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.443 0.64 . . . . 0.0 109.773 176.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.67 152.56 43.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.977 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 11.5 mt -76.84 161.33 28.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.376 0.607 . . . . 0.0 111.52 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.92 116.75 38.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.471 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.544 ' HB2' HG12 ' A' ' 41' ' ' VAL . 92.5 m-85 -119.61 122.54 41.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.399 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.01 113.53 19.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.043 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 54.7 t -85.01 -34.44 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 45.3 tttm -115.6 133.41 22.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.209 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 11.4 Cg_exo . . . . . 0 C--O 1.247 0.948 0 C-N-CA 122.898 2.399 . . . . 0.0 110.955 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -139.31 15.27 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 66.1 100.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.262 0.553 . . . . 0.0 111.34 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -107.28 125.73 51.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.215 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -110.02 100.56 9.48 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.833 -174.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -117.7 119.43 34.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.639 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -92.67 138.47 31.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.279 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.75 -43.59 36.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.4 m 74.68 154.24 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.167 0.917 . . . . 0.0 112.578 173.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -133.86 74.34 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.239 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.4 mtt -89.64 79.75 6.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 0.0 111.28 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -166.96 114.78 0.82 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 8.4 p90 -147.13 132.42 9.12 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.013 0.435 . . . . 0.0 111.514 -172.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 8.9 Cg_endo -87.83 94.44 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.425 2.75 . . . . 0.0 112.248 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -127.29 96.01 4.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.155 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -141.82 109.39 5.66 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.86 -67.83 0.25 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.78 166.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.3 154.48 20.03 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.85 0.46 . . . . 0.0 110.753 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.921 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -132.65 -65.66 0.71 Allowed 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -178.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.921 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 86.5 mt -105.9 106.59 17.16 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 125.883 1.673 . . . . 0.0 108.502 -20.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' H ' ' HB3' ' A' ' 19' ' ' PHE . . . 64.3 -127.36 34.82 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.197 -174.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 p -132.13 77.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.232 0.539 . . . . 0.0 110.762 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -136.79 100.76 4.4 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.8 m-80 -85.4 10.39 12.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 -170.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.89 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.553 0.216 . . . . 0.0 111.439 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.21 -30.54 65.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -75.28 -41.82 56.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.497 -176.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 24' ' ' ASN . 58.9 t -62.32 -32.89 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.457 . . . . 0.0 110.28 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.22 -24.42 64.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.269 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.724 HG13 ' HA ' ' A' ' 55' ' ' ALA . 81.8 t -73.85 -34.85 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.678 -178.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HB3' ' HD3' ' A' ' 32' ' ' ARG . 10.3 mp -70.86 151.31 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HD3' ' HB3' ' A' ' 31' ' ' LEU . 0.0 OUTLIER 73.02 123.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.517 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -155.73 132.09 10.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -174.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -159.23 145.58 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 p80 174.64 168.21 0.26 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.008 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -177.46 13.41 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.809 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -58.91 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.431 0.616 . . . . 0.0 111.954 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 81.5 m-85 -87.03 114.55 23.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.757 -175.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HE2' ' A' ' 145' ' ' TYR . 50.7 mm -127.43 130.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 111.171 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.38 127.05 52.77 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 145' ' ' TYR . 14.0 m -128.18 112.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.208 0.528 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -119.9 10.19 11.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.653 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' HA3' ' H ' ' A' ' 147' ' ' VAL . . . -66.38 -23.8 71.94 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.506 -174.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 63.58 86.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.812 0.445 . . . . 0.0 111.44 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.99 142.94 27.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.07 -52.54 42.79 Favored Glycine 0 C--N 1.329 0.187 0 O-C-N 123.481 0.488 . . . . 0.0 113.332 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.93 10.32 29.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.824 0.312 . . . . 0.0 111.515 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.54 42.61 1.32 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.124 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -84.24 85.32 7.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.52 -0.4 . . . . 0.0 110.649 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.421 ' HA ' HD13 ' A' ' 53' ' ' LEU . 38.6 m 68.87 -2.39 1.75 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.187 176.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -73.26 -33.31 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 0.0 110.727 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.57 -26.95 68.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.087 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 50' ' ' SER . 6.9 mp -65.29 -38.72 91.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.92 -43.35 96.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.724 ' HA ' HG13 ' A' ' 30' ' ' VAL . . . -61.78 -44.81 96.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.043 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 41.5 t90 -59.42 -44.38 92.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.01 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.3 t -64.92 -46.52 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.526 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.99 82.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.45 -36.59 81.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.54 76.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.142 0.496 . . . . 0.0 110.182 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.503 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.55 -21.73 62.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.8 1.77 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.26 32.18 60.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.552 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -122.05 161.06 23.7 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.573 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 47.7 t30 -86.97 133.05 33.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.8 147.84 25.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.611 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.21 135.53 10.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 43.1 p90 -107.37 131.38 54.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.3 mt -121.91 124.67 71.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.795 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 2.8 m-20 -82.57 106.03 14.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.8 44.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.932 0.396 . . . . 0.0 111.716 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -114.36 39.82 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.487 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 23.1 t -165.68 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.934 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.8 mtm -131.05 144.38 53.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.27 157.94 29.72 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.544 2.163 . . . . 0.0 112.545 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 102' ' ' LEU . 34.8 tp -93.65 143.95 25.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -139.89 157.91 44.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.023 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.69 -14.1 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.3 -25.79 62.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 110.667 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -21.7 61.73 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.843 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.48 -17.81 62.97 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 111.08 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.39 -20.14 34.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.38 0.609 . . . . 0.0 110.497 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -85.69 137.4 32.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.206 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -90.68 -29.5 17.68 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.463 0.649 . . . . 0.0 110.158 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 74.1 m-85 -112.88 100.61 8.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.64 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.58 133.27 49.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.627 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -126.03 122.95 37.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.634 175.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 47.0 t -120.91 124.5 72.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.898 0.38 . . . . 0.0 110.32 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.91 148.96 33.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.493 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 34.4 mt-30 63.58 35.31 11.81 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.7 0.625 . . . . 0.0 110.065 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 11.8 p -65.21 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.956 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.598 ' HA ' HD21 ' A' ' 129' ' ' LEU . 34.2 mm-40 -65.99 -12.42 54.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.193 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -101.19 14.5 31.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 75.1 mt -56.05 134.85 52.84 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.713 0.292 . . . . 0.0 111.28 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.09 -89.79 1.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.968 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -129.27 -70.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.689 -0.301 . . . . 0.0 110.612 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -62.04 -31.65 72.08 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.235 0.541 . . . . 0.0 110.472 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.491 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.8 mp0 -64.06 -40.25 95.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.78 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.16 -45.36 85.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.091 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -67.18 -48.37 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 0.0 109.709 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -54.96 -44.61 74.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.716 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -52.83 -48.95 66.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.287 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -63.12 -34.48 77.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.286 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 102' ' ' LEU . 65.2 mt -62.11 -46.89 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.571 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.558 ' HE1' ' HG ' ' A' ' 118' ' ' LEU . 3.1 m-30 -64.77 -32.86 74.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.023 177.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -67.43 -39.51 85.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.29 -44.28 97.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.48 -50.45 72.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.603 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.363 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.11 -41.13 82.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.053 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.7 t -98.71 -26.42 14.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.916 0.388 . . . . 0.0 111.375 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.2 20.31 67.52 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 68.9 tttt -114.0 174.16 6.08 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.075 -0.563 . . . . 0.0 109.516 -174.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.448 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 87.78 166.76 42.78 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.135 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.47 -69.4 0.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HG ' ' HE1' ' A' ' 107' ' ' PHE . 1.4 tm? 75.54 126.7 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.419 1.074 . . . . 0.0 110.039 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 118' ' ' LEU . 59.2 tp -129.1 130.29 46.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.869 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.441 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 95.6 mt -121.91 122.47 39.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.41 . . . . 0.0 111.041 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.95 -103.72 1.15 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 65.06 -154.67 0.28 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.395 0.617 . . . . 0.0 112.069 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 1.1 tm-20 -149.8 166.48 29.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 66.96 -163.23 0.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.276 0.489 . . . . 0.0 109.856 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 p -129.57 152.74 80.2 Favored Pre-proline 0 C--N 1.322 -0.602 0 O-C-N 121.955 -0.466 . . . . 0.0 110.689 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.708 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 38.0 Cg_endo -68.66 -18.39 42.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.576 2.184 . . . . 0.0 111.852 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -74.83 -19.39 60.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.265 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -90.89 -8.36 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.227 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 93' ' ' GLU . 32.8 mt -68.65 134.11 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 112.236 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.36 82.94 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.822 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 26.1 pt -135.81 -174.36 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.005 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 132' ' ' ARG . 29.3 mmt-85 -54.1 132.06 42.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.17 -38.17 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.42 -38.1 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.565 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -81.51 -37.05 28.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.125 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.2 -27.74 62.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.434 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -34.71 77.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.081 0.467 . . . . 0.0 109.956 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -68.62 -31.77 71.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.538 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 24.8 mmt -67.31 -20.48 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.72 8.42 10.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.736 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.53 -12.19 40.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.522 0.201 . . . . 0.0 111.369 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 28.3 p -87.95 141.76 28.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.1 0.476 . . . . 0.0 110.677 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.72 154.24 28.71 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.214 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.4 t -117.71 116.13 50.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.376 . . . . 0.0 110.329 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.53 ' HB2' HG12 ' A' ' 41' ' ' VAL . 36.2 m-85 -107.42 120.72 42.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.929 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.83 113.44 20.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.652 174.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.423 ' H ' ' HA3' ' A' ' 43' ' ' GLY . 28.4 t -102.29 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -174.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 27.3 tptp 60.12 89.31 0.11 Allowed Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 123.841 0.713 . . . . 0.0 112.003 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.068 2.512 . . . . 0.0 111.641 175.869 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.988 0.423 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.34 50.28 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.712 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 67.52 177.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.433 0.635 . . . . 0.0 111.819 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -134.35 116.52 15.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.132 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -120.52 94.74 4.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.456 0.646 . . . . 0.0 111.598 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -109.44 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.895 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -144.83 133.31 21.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.158 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -111.62 148.57 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 20.0 p -147.76 78.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 111.816 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 9' ' ' SER . 10.1 t60 174.17 98.22 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.438 174.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -142.18 7.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.756 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -98.17 112.02 24.14 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.713 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.55 108.42 17.36 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.977 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -81.61 116.52 2.92 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.846 2.364 . . . . 0.0 111.963 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -150.91 90.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.231 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.51 125.27 16.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.332 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -147.53 135.72 21.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.761 0.315 . . . . 0.0 110.193 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.759 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 21.5 ptmt -177.17 173.83 1.74 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.163 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.923 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 28.0 m-85 -127.86 -59.85 1.18 Allowed 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 13.0 mt -113.24 -176.0 2.8 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.086 1.354 . . . . 0.0 109.325 -14.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.11 149.98 24.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.865 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.769 HG22 ' HG3' ' A' ' 23' ' ' GLU . 56.3 m -157.33 133.88 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.215 0.206 . . . . 0.0 110.476 177.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' HG3' HG22 ' A' ' 22' ' ' THR . 45.4 mt-10 66.9 110.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.82 0.7 . . . . 0.0 112.255 176.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 28' ' ' VAL . 53.6 m-80 -88.83 15.52 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.975 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.58 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.548 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 30' ' ' VAL . 36.7 mt-10 -69.96 -27.03 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.444 -177.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 tp -72.68 -45.13 60.41 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.232 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 24' ' ' ASN . 60.5 t -60.89 -36.36 71.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.76 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -56.93 -45.54 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.269 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 26' ' ' GLU . 59.7 t -69.14 -40.19 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -172.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 94.5 mt -48.36 98.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -168.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.776 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 67.1 mmt-85 -135.52 170.47 15.9 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 173.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -165.99 -17.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -55.25 101.4 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -157.83 -171.34 3.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.266 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.08 -146.95 13.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 44.5 tt0 -92.91 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.33 104.36 14.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -123.6 122.85 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -173.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -111.18 123.15 49.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 145' ' ' TYR . 28.8 m -115.44 133.27 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.129 0.49 . . . . 0.0 109.815 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -105.51 16.98 24.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.699 ' HA3' HG11 ' A' ' 147' ' ' VAL . . . -142.82 119.62 1.42 Allowed Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.257 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.72 151.66 46.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -58.29 -34.59 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -173.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.84 65.2 0.13 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.636 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.58 24.5 3.54 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.195 0.585 . . . . 0.0 110.366 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.92 -28.34 21.27 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.5 tptt 60.24 82.22 0.16 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.925 -0.637 . . . . 0.0 112.304 173.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER 59.57 20.17 8.7 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.949 172.406 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.62 -26.92 58.22 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.277 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.2 mp -73.27 -49.59 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.568 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -67.59 -34.09 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.437 0.637 . . . . 0.0 110.099 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.776 ' HB1' ' H ' ' A' ' 32' ' ' ARG . . . -56.09 -48.21 76.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.63 175.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 42.8 t90 -58.1 -35.66 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.392 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 69' ' ' TYR . 79.5 t -69.93 -55.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.272 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -61.04 -38.37 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.942 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -66.43 -40.58 89.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.99 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.346 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 58' ' ' ALA . 79.8 mt -59.76 -46.42 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.934 176.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.43 -26.53 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.24 -7.29 48.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.46 13.04 42.8 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.708 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -107.39 179.23 4.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 64.2 t30 -110.08 134.57 52.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.775 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -150.95 150.42 30.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.58 138.02 19.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.524 ' HB3' HG21 ' A' ' 57' ' ' VAL . 51.0 p90 -104.94 136.16 44.94 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.98 116.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.496 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.15 94.87 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -70.92 -7.03 42.95 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -170.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.96 40.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.077 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -129.9 -15.74 3.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.025 0.441 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 87.3 mtp -123.76 150.95 63.4 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 31.1 Cg_endo -91.84 155.04 3.39 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.935 2.423 . . . . 0.0 111.896 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.92 143.96 29.5 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -133.06 171.13 14.4 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.042 0.449 . . . . 0.0 111.094 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.06 -12.85 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.81 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.38 -26.11 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.862 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.7 m-85 -66.47 -20.2 65.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.694 0.283 . . . . 0.0 111.478 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -82.08 -21.83 36.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.468 . . . . 0.0 111.354 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.498 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -84.17 144.46 28.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.375 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -84.86 -32.91 22.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.866 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 19.5 m-85 -116.39 113.7 23.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.336 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.539 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.5 mm? -110.0 120.85 43.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.872 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 115.68 25.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.886 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.11 123.74 68.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.93 116.05 28.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.422 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.9 mp0 57.62 72.36 0.52 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 -174.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.525 HG12 ' OG ' ' A' ' 122' ' ' SER . 8.0 p -70.23 -17.94 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.036 0.446 . . . . 0.0 111.222 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.3 pm0 -73.6 -7.69 52.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.114 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.0 mmmt -84.25 -3.64 58.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 111.25 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 88.3 mt -75.94 140.5 42.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.664 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.31 -84.83 0.59 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.755 -173.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -129.47 -70.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 111.464 -172.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.0 -36.6 84.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.298 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.7 mp0 -60.09 -36.93 78.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.981 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.516 ' OE1' ' HG3' ' A' ' 132' ' ' ARG . 67.7 mt-30 -71.29 -34.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.682 0.277 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.13 72.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 0.0 110.08 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -65.91 -48.72 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.404 176.242 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 135' ' ' LEU . 2.8 tm? -55.07 -45.29 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.884 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.502 ' HD1' ' HG3' ' A' ' 138' ' ' ARG . 42.4 t80 -52.36 -50.57 62.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 174.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.505 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 7.5 t -60.74 -38.36 84.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.746 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 102' ' ' LEU . 76.3 mt -58.12 -52.38 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.8 -43.43 90.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.0 -53.58 51.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.34 -40.86 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.712 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.4 -38.42 87.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.695 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 111' ' ' ARG . 26.4 mmt180 -74.98 -26.13 59.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.547 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.69 -41.99 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 175.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -78.73 -40.78 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.053 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.83 -19.33 52.68 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 115' ' ' LYS . 2.3 tmmt? -106.65 173.47 6.3 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.44 144.38 12.52 Favored Glycine 0 C--N 1.32 -0.341 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.619 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 71.5 m-85 -120.46 140.87 50.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.767 0.318 . . . . 0.0 110.715 -175.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -137.87 130.19 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -176.174 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.03 115.39 18.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.927 0.394 . . . . 0.0 109.98 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.53 122.9 49.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.4 105.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.525 ' OG ' HG12 ' A' ' 92' ' ' VAL . 44.6 m -129.12 -179.28 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 124' ' ' TYR . 7.7 tp10 -102.99 112.51 25.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.02 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.46 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 40.1 m-85 72.73 -176.8 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.292 0.637 . . . . 0.0 111.758 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -85.21 155.1 60.45 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.82 -173.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.73 -22.59 62.06 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.505 2.803 . . . . 0.0 113.909 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -80.61 -19.08 46.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -92.78 -14.27 28.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 109.925 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 93' ' ' GLU . 96.9 mt -91.48 134.84 34.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.404 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -92.23 89.21 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 0.0 110.23 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.44 -175.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.516 ' HG3' ' OE1' ' A' ' 100' ' ' GLN . 48.2 mtp180 -63.46 132.04 50.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.34 -42.43 77.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.875 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.72 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 30.7 t70 -63.54 -39.67 95.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.46 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 103' ' ' LEU . 58.7 tp -64.91 -35.52 81.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.17 -40.84 95.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.189 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.7 t -76.85 -20.59 56.13 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.828 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 23.8 mmt180 -77.24 -23.5 51.29 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.133 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.68 -20.8 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.84 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.27 -4.74 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -92.69 18.64 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 0.0 111.26 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 28.9 p -136.48 162.83 31.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.03 154.38 22.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -119.25 117.24 53.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.844 0.354 . . . . 0.0 110.139 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.1 m-30 -98.25 123.73 42.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 176.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.2 126.14 31.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.828 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.699 HG11 ' HA3' ' A' ' 43' ' ' GLY . 10.6 p -79.72 -23.11 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.617 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 98.0 mttt -84.38 122.38 75.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.147 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 2.1 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.708 2.272 . . . . 0.0 110.719 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.76 74.44 0.41 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.799 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -69.7 90.37 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 110.518 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.1 144.78 31.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.468 ' O ' ' HB2' ' A' ' 6' ' ' HIS . 54.3 t-80 -107.99 -32.08 7.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.945 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' HIS . 22.3 m-70 72.89 155.65 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.778 0.674 . . . . 0.0 111.652 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -137.82 103.81 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.569 174.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -93.52 121.65 35.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.99 0.424 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -85.17 154.37 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.303 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -132.49 109.18 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.584 174.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ttt -104.47 119.89 40.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -112.61 142.12 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.402 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -118.23 90.35 37.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -101.11 174.87 0.28 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.413 2.742 . . . . 0.0 113.675 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.4 m 61.47 91.2 0.06 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.426 172.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -147.1 109.03 4.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.189 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -155.29 138.78 15.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.052 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.819 ' HB2' HD12 ' A' ' 20' ' ' LEU . 59.6 pttt -110.39 128.44 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 111.284 -177.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.778 ' HA ' ' HB2' ' A' ' 20' ' ' LEU . 37.0 t80 172.07 88.87 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -177.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD12 ' HB2' ' A' ' 18' ' ' LYS . 45.7 mt 69.02 100.03 0.06 Allowed 'General case' 0 C--O 1.231 0.091 0 C-N-CA 127.113 2.165 . . . . 0.0 112.116 20.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.12 155.63 7.82 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -155.16 146.69 23.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.452 0.626 . . . . 0.0 111.334 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -126.8 132.24 51.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.673 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 28' ' ' VAL . 30.8 p-10 -93.65 16.25 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -51.11 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.6 mt-10 -66.0 -29.7 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.842 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 27' ' ' LEU . 3.5 mm? -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' ASN . 65.3 t -66.95 -38.76 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.47 -26.16 67.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.812 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.827 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 99.1 t -70.12 -32.04 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.449 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.35 -179.66 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 75.37 -164.56 0.07 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.584 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 75.31 93.74 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.035 0.934 . . . . 0.0 111.825 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -81.36 178.85 8.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.108 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' HD21 ' A' ' 119' ' ' LEU . 4.6 p80 -177.46 -28.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.34 -176.35 19.67 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.043 -1.075 . . . . 0.0 113.057 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 56.0 tt0 -80.28 -77.11 0.2 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.608 0.363 . . . . 0.0 111.933 -176.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.18 99.41 11.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 119' ' ' LEU . 50.6 mm -121.73 124.04 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.14 0.495 . . . . 0.0 111.313 -174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 56.9 t80 -109.98 125.3 52.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.221 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.9 143.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -133.39 53.48 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.572 0.701 . . . . 0.0 110.367 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.84 107.23 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.15 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.19 142.28 57.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.429 . . . . 0.0 111.796 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -175.33 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.532 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.12 -99.47 0.17 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.813 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.6 101.45 3.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.889 0.375 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.09 121.67 2.54 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.951 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -134.74 -74.85 0.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 53' ' ' LEU . 34.7 m 60.72 5.51 0.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 161.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.478 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 7.3 p-80 -64.49 -32.8 74.58 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.959 1.254 . . . . 0.0 111.356 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 53' ' ' LEU . 3.1 pp -76.39 -26.11 55.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.619 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.3 mp -74.46 -47.72 31.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 176.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 51' ' ' HIS . 12.1 pt20 -63.28 -39.18 93.86 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.111 -174.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.827 ' HA ' ' O ' ' A' ' 30' ' ' VAL . . . -58.0 -40.78 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.66 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.477 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.1 t90 -69.76 -41.84 74.64 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.646 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 67' ' ' ALA . 72.4 t -62.94 -51.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.867 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.83 85.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.305 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.16 -39.0 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.397 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.76 77.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.598 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.12 -49.37 77.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.91 -7.82 56.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.185 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.12 59.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.267 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.62 24.22 39.88 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.397 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -109.51 159.7 16.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.34 132.35 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -157.7 141.31 15.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.749 -174.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.82 140.75 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' HB3' HG21 ' A' ' 57' ' ' VAL . 50.9 p90 -118.42 132.79 56.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -120.99 128.25 76.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 1.7 m-20 -91.73 109.28 20.59 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.65 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.25 -3.21 34.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 33.4 t -125.98 -29.9 3.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.28 0.562 . . . . 0.0 110.547 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.9 mtm -136.05 144.23 47.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.034 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.38 163.0 17.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.344 2.029 . . . . 0.0 111.616 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 37.0 tp -86.34 144.19 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.2 p -123.84 161.29 25.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -74.84 -18.71 60.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -24.49 66.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.012 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.24 -18.1 56.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.835 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.14 -27.5 69.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -78.67 -24.74 44.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.67 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -72.67 119.74 17.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.424 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.39 -33.72 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.767 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 10.5 m-85 -111.83 100.55 9.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 84' ' ' ALA . 1.5 tm? -116.0 130.55 56.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.0 110.463 -173.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -130.56 136.04 48.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.89 133.52 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.829 0.347 . . . . 0.0 110.483 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.95 136.71 46.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 65.56 42.16 3.81 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.631 0.582 . . . . 0.0 111.183 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 120' ' ' LEU . 21.3 t -55.04 -30.64 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.732 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -32.65 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.17 19.62 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -172.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -80.31 138.59 36.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 170.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 69.91 0.81 Allowed Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.708 -0.758 . . . . 0.0 114.055 -172.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.6 t30 70.89 -60.22 0.51 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.112 0.565 . . . . 0.0 112.145 175.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.71 -53.29 53.5 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.342 0.257 . . . . 0.0 111.08 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.4 mp0 -67.64 -28.9 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.14 -42.18 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.075 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.94 72.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.2 -49.3 67.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.379 174.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.56 -44.05 76.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.298 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' HD1' ' HG ' ' A' ' 135' ' ' LEU . 77.1 t80 -55.62 -42.43 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 176.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 108' ' ' ASN . 7.0 t -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.458 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.2 mt -62.53 -45.41 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.942 174.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.84 -41.58 82.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.092 0.472 . . . . 0.0 109.975 173.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 36.1 t30 -58.45 -53.83 53.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.469 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.06 -35.84 79.84 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.146 -175.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' HA3' ' A' ' 116' ' ' GLY . 20.8 m-30 -68.77 -54.41 16.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.916 0.388 . . . . 0.0 110.477 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.55 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -66.41 -46.21 77.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.824 -175.003 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.9 p -82.03 -43.16 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.503 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.27 -2.82 43.54 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.77 173.22 6.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.567 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 103.64 143.42 12.68 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.895 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 37' ' ' GLN . 76.9 m-85 -127.27 127.14 43.89 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.449 HD13 ' HE2' ' A' ' 110' ' ' PHE . 22.1 tp -126.01 138.0 53.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.278 0.561 . . . . 0.0 111.126 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -128.79 122.75 31.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.35 177.8 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.713 HD22 HG21 ' A' ' 92' ' ' VAL . 89.6 mt -121.42 127.19 50.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.54 146.57 17.87 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.6 t -160.53 -178.77 7.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.192 0.496 . . . . 0.0 110.627 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.45 -14.56 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.987 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -133.94 -175.46 3.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 126' ' ' PRO . 6.6 p -74.81 155.18 87.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.287 175.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.71 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 37.1 Cg_endo -63.89 -30.48 67.69 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 122.99 2.46 . . . . 0.0 113.898 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -96.33 -4.46 42.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.721 0.296 . . . . 0.0 111.088 -176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -101.23 -6.21 24.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.313 0.578 . . . . 0.0 109.765 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 125' ' ' THR . 96.1 mt -71.31 139.04 49.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.46 79.98 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.583 0.706 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.8 pt -131.79 -173.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.538 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 135' ' ' LEU . 4.5 mmp_? -47.73 130.64 14.61 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.562 0.539 . . . . 0.0 110.456 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 136' ' ' ARG . 37.2 tt0 -65.38 -34.01 77.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.147 -175.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.09 -42.44 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 132' ' ' ARG . 3.7 tt -61.84 -38.83 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.074 -175.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 133' ' ' GLU . 16.9 ptp180 -65.02 -22.08 66.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 p -80.43 -30.43 37.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.23 0.538 . . . . 0.0 109.864 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.403 ' HG3' ' HE1' ' A' ' 104' ' ' PHE . 30.8 mmt180 -67.68 -19.5 65.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.465 0.65 . . . . 0.0 109.791 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.71 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 21.0 mmt -64.15 -19.01 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.212 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.76 -5.09 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.645 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.71 -26.25 59.69 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.687 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 p -103.23 162.41 13.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.65 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.2 153.81 24.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.918 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.47 116.56 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.063 0.459 . . . . 0.0 109.834 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -120.65 129.74 53.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.455 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.11 125.84 48.91 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.417 ' O ' ' HD3' ' A' ' 149' ' ' PRO . 12.6 m -129.86 43.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -174.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -96.71 111.88 58.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 147' ' ' VAL . 4.8 Cg_exo . . . . . 0 C--O 1.245 0.869 0 C-N-CA 123.021 2.48 . . . . 0.0 110.851 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.782 0.325 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.23 160.18 32.33 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -126.27 -29.34 3.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.922 0.391 . . . . 0.0 110.755 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -107.02 144.33 33.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.707 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -171.96 113.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.565 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -102.65 172.68 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -84.67 113.35 21.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 0.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -87.96 177.68 6.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.48 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -110.26 -86.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.65 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 178.04 84.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.6 mtp -106.41 82.27 1.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.31 178.28 2.06 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 51.4 t80 -176.09 113.44 0.26 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.452 173.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 23.9 Cg_exo -63.66 90.5 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.912 2.408 . . . . 0.0 112.673 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -157.08 85.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.504 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -165.03 93.88 0.63 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -114.95 92.33 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.062 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -151.43 109.08 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.336 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.671 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 37.8 t80 -175.57 72.5 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.671 ' C ' ' HA ' ' A' ' 19' ' ' PHE . 45.0 mt 39.71 70.11 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.774 2.03 . . . . 0.0 113.275 10.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.02 102.51 0.59 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.149 -175.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -92.9 139.28 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 171.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 66.02 118.72 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.672 0.608 . . . . 0.0 109.86 -167.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 28' ' ' VAL . 85.8 m-20 -94.64 21.89 6.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.07 72.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.635 0.255 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 30' ' ' VAL . 38.2 mt-10 -67.81 -26.26 65.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.69 177.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.86 -43.87 82.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.274 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 24' ' ' ASN . 57.8 t -63.1 -33.89 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.029 0.443 . . . . 0.0 110.07 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.32 -32.89 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.602 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 55' ' ' ALA . 79.2 t -74.93 -34.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.28 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.75 114.48 1.72 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.117 0.485 . . . . 0.0 111.327 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.9 162.13 22.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.833 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -97.53 37.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 pttm 46.29 -162.72 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.288 1.035 . . . . 0.0 112.831 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -151.92 -169.02 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.476 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.3 -161.73 18.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.673 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 22.9 mt-30 -79.31 -73.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.946 0.373 . . . . 0.0 110.907 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 99.4 m-85 -102.31 99.74 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.511 -176.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.87 118.29 54.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.258 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.39 123.79 48.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.59 118.85 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.152 0.501 . . . . 0.0 110.032 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -106.51 153.63 22.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.135 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.87 -113.98 0.59 Allowed Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.304 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' A' ' 45' ' ' GLU . 16.2 tt0 -159.92 -169.02 2.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -172.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.779 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 8.1 pt-20 -72.01 151.91 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.024 0.44 . . . . 0.0 110.514 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.43 -142.99 9.37 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 51' ' ' HIS . . . -66.3 -14.47 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.359 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . -69.55 -31.63 70.96 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.53 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.779 ' HD3' ' HB2' ' A' ' 45' ' ' GLU . 46.9 mtmt -66.09 106.98 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.161 0.184 . . . . 0.0 110.913 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.0 m 68.0 -45.94 0.51 Allowed 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.066 0.854 . . . . 0.0 112.943 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 94.5 m-70 -57.3 -53.05 62.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD12 ' HA2' ' A' ' 48' ' ' GLY . 64.8 mt -64.09 -33.55 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 90' ' ' ASP . 7.2 mp -72.16 -45.56 59.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 30' ' ' VAL . . . -61.28 -42.65 99.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 43.6 t90 -71.14 -40.53 71.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.979 -177.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.1 t -68.22 -47.44 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.502 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.81 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.434 ' HB2' HE21 ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.36 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.568 -178.303 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.89 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.018 0.437 . . . . 0.0 110.517 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.48 -47.28 86.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.158 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.22 -9.34 58.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.388 . . . . 0.0 111.102 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 -4.16 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.49 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.78 14.99 51.21 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.9 159.24 18.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.528 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 57.7 t30 -92.93 133.7 35.85 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -144.69 149.55 35.82 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.493 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.92 131.46 13.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' HB3' HG21 ' A' ' 57' ' ' VAL . 46.5 p90 -109.37 131.09 55.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.67 113.29 36.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.455 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.7 m-20 -79.85 102.18 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -18.89 60.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -173.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 26.8 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.787 0.327 . . . . 0.0 111.644 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -162.9 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 0.0 110.607 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 72.3 mtm -127.39 144.26 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.604 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.2 162.65 7.08 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.777 2.318 . . . . 0.0 112.591 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.7 tp -84.99 144.44 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 p -133.79 164.39 27.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.857 0.361 . . . . 0.0 110.605 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.97 -12.74 61.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.249 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.96 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.053 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -21.91 61.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.059 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.99 -12.63 61.85 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -81.08 -25.92 36.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.176 0.513 . . . . 0.0 110.823 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -89.02 144.46 26.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.259 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.66 -33.95 16.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.973 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 11.8 m-85 -105.9 105.85 16.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.078 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.57 135.11 50.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.869 0.366 . . . . 0.0 110.678 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.85 124.68 41.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.895 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.53 114.44 44.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.71 0.291 . . . . 0.0 110.723 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.661 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 14.5 t70 -90.07 121.69 32.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.71 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.459 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 47.2 mt-30 62.83 57.3 1.74 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.545 0.528 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 122' ' ' SER . 12.0 p -57.43 -23.52 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.358 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.568 ' HB2' HD22 ' A' ' 129' ' ' LEU . 32.7 tt0 -60.0 -24.94 64.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 111.515 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 mppt? -89.2 19.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.129 -173.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.39 151.4 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 173.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -128.72 5.73 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.29 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -89.19 -71.0 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.422 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.32 -33.89 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 -174.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 99' ' ' GLU . 1.5 mp0 -60.78 -37.96 83.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.499 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HG3' HD22 ' A' ' 135' ' ' LEU . 10.0 tt0 -66.85 -43.53 83.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 0.0 110.569 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.89 -48.41 74.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.393 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.23 -46.34 75.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.26 -42.11 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.0 m -62.5 -37.92 87.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.904 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.73 -47.86 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 110.173 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.76 -48.45 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.232 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 28.2 t-20 -61.26 -37.99 85.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.21 -50.52 67.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.288 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.88 -42.99 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.536 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -65.37 -25.98 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.813 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -64.23 -50.39 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.249 0.547 . . . . 0.0 110.328 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -79.52 -38.95 33.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.392 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.39 -7.75 30.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.056 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -102.9 -165.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 102.61 132.26 7.61 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.963 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.1 m-85 -117.52 119.98 36.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.727 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.2 104.86 16.93 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.43 123.31 46.62 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.879 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -128.09 147.03 17.14 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.783 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.458 ' HB2' HG12 ' A' ' 92' ' ' VAL . 9.7 t -176.47 161.03 2.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.3 131.02 44.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 125' ' ' THR . 96.6 m-85 66.53 -164.06 0.23 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 111.776 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 124' ' ' TYR . 17.1 p -89.56 157.55 46.78 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.898 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.36 -26.23 63.54 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.932 2.421 . . . . 0.0 112.33 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 35.6 mt-30 -81.79 -4.19 55.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.142 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -108.95 -9.97 15.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.849 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 93' ' ' GLU . 88.0 mt -75.5 146.82 40.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.339 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.67 90.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.318 0.58 . . . . 0.0 110.597 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 135' ' ' LEU . 14.2 pt -144.72 -173.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.301 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -57.73 134.25 56.06 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.42 -32.37 73.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 1.8 t70 -58.52 -50.05 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.562 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.548 HD22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 tp -63.73 -36.22 83.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 127' ' ' GLN . 41.0 ttm180 -56.54 -46.79 80.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.513 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.8 t -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.66 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 16.0 mmt180 -71.59 -39.22 70.68 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-O 121.275 0.56 . . . . 0.0 109.613 173.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 88.2 mmm -62.2 -31.37 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.251 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.38 -5.57 45.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.047 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.621 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 36.9 m-85 -78.52 -12.0 59.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 34.0 m -90.13 174.35 7.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.072 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.99 162.75 17.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.307 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.0 t -130.63 116.16 34.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.488 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -108.26 144.23 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.37 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -105.66 115.02 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.12 -30.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 52.14 80.88 0.28 Allowed Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.362 0.414 . . . . 0.0 111.812 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.95 2.434 . . . . 0.0 111.757 176.708 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 127.62 86.01 0.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.219 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -122.41 62.09 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.438 0.637 . . . . 0.0 111.001 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -116.87 110.27 18.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.163 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -148.35 103.34 3.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.684 0.754 . . . . 0.0 111.498 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -154.5 127.25 8.12 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.011 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -144.89 128.0 16.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.029 0.442 . . . . 0.0 111.518 -176.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -158.38 83.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.363 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -95.12 73.03 3.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.144 0.497 . . . . 0.0 111.254 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -154.44 108.79 3.0 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -157.32 34.59 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -149.49 126.63 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 111.258 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -134.71 109.42 11.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.365 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.16 113.07 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.657 2.238 . . . . 0.0 111.326 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 p -109.2 112.03 23.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 65.83 19.11 11.29 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.65 0.594 . . . . 0.0 110.885 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -78.58 139.65 38.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.061 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.822 ' HG3' ' HG ' ' A' ' 20' ' ' LEU . 28.5 ttmt 72.59 135.95 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 124.151 0.907 . . . . 0.0 111.571 175.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 67.3 m-85 -125.43 -56.21 1.52 Allowed 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.822 ' HG ' ' HG3' ' A' ' 18' ' ' LYS . 12.4 mt -103.28 -30.17 10.8 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.767 1.227 . . . . 0.0 110.226 -12.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.66 -74.06 2.27 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.95 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.59 -177.81 4.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.039 -0.095 . . . . 0.0 111.138 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 74.51 109.99 0.07 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 124.022 0.826 . . . . 0.0 111.416 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -115.03 18.48 16.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.327 -177.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.03 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.772 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.9 mt-10 -65.5 -37.88 88.08 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.708 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mm? -66.34 -32.42 73.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.77 -39.31 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -71.44 -32.49 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.551 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 55' ' ' ALA . 73.3 t -66.06 -34.55 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.056 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.4 mt -62.45 104.88 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.879 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' HG2' ' H ' ' A' ' 33' ' ' HIS . 66.1 ttt180 -145.63 173.16 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 16.2 t-80 -77.53 133.37 38.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.774 0.321 . . . . 0.0 111.297 -177.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -176.33 5.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.141 0.495 . . . . 0.0 112.203 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -134.23 -169.23 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -166.27 8.42 Favored Glycine 0 CA--C 1.522 0.49 0 O-C-N 123.424 0.453 . . . . 0.0 113.877 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.588 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 69.0 mt-30 -72.05 -72.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 120.735 0.302 . . . . 0.0 111.626 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -98.5 101.88 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD12 ' HE2' ' A' ' 145' ' ' TYR . 46.6 mm -122.22 129.12 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 -175.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 142' ' ' CYS . 43.8 t80 -116.01 126.85 54.36 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 145' ' ' TYR . 6.2 m -125.2 138.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.277 -176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 -146.09 148.38 32.57 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.497 ' HA3' ' HB ' ' A' ' 147' ' ' VAL . . . 140.29 177.25 15.76 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 149' ' ' PRO . 52.2 mp0 -72.81 100.36 2.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.537 0.335 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 46.68 -156.28 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.416 1.086 . . . . 0.0 112.379 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -92.19 0.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.2 -26.99 14.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.733 0.301 . . . . 0.0 110.428 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.3 21.01 11.11 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.605 -172.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -144.58 -176.7 5.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.35 18.96 0.06 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -172.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -73.44 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 111.267 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.48 -26.03 63.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 88' ' ' ALA . 6.7 tp -54.69 -52.44 62.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.466 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.03 -40.67 62.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HA ' HG13 ' A' ' 30' ' ' VAL . . . -56.98 -45.68 82.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.283 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 52.1 t90 -64.04 -41.17 97.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.122 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 69' ' ' TYR . 54.5 t -67.93 -46.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.759 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.0 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.585 0.231 . . . . 0.0 111.289 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.2 -48.43 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 86' ' ' TYR . . . -66.11 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.535 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 67.1 mt -63.0 -42.77 99.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.04 -6.95 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.13 0.86 50.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.128 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.5 16.04 78.63 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.168 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -107.68 168.79 9.01 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.486 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 44.4 t30 -101.34 133.25 46.23 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.94 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.93 160.81 42.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.12 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.24 131.76 5.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.594 ' HB3' HG21 ' A' ' 57' ' ' VAL . 14.4 p90 -104.9 125.06 50.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 69.8 mt -124.16 118.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.623 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.875 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 4.5 p-10 -95.04 114.26 26.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.383 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -60.27 -18.33 48.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.999 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.89 72.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -127.89 -11.59 5.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.942 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.513 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 66.3 mtm -139.32 143.49 36.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.784 0.326 . . . . 0.0 111.579 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 86.9 Cg_endo -97.28 169.83 0.83 Allowed 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.301 2.667 . . . . 0.0 112.371 174.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.77 144.04 25.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -139.51 168.63 19.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.99 -24.26 62.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.229 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -25.77 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 110.483 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 -9.03 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.646 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HZ ' ' HD2' ' A' ' 109' ' ' ARG . 4.6 t80 -70.11 -16.97 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.253 0.549 . . . . 0.0 109.96 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.38 -23.0 64.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.24 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -75.04 139.32 42.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -86.02 -33.18 21.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.236 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.582 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 10.3 m-85 -112.02 108.84 18.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.336 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.7 mm? -103.14 131.12 50.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.046 0.45 . . . . 0.0 110.884 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB1' ' HG ' ' A' ' 53' ' ' LEU . . . -119.53 116.22 25.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.536 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.47 122.7 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.0 111.504 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.875 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 22.4 t70 -98.42 126.75 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.743 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 46.4 mt-30 58.73 52.72 6.46 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.572 0.545 . . . . 0.0 111.77 176.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.9 p -58.35 -22.06 19.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.641 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.575 ' HG3' HD22 ' A' ' 129' ' ' LEU . 2.9 tm-20 -65.96 -25.72 67.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.397 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.743 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 23.9 mmmt -83.74 -2.15 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 111.464 -172.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 95.9 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 111.143 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.07 70.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.255 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 t30 69.41 -63.92 0.36 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.207 0.603 . . . . 0.0 112.481 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.5 -50.58 72.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.617 0.246 . . . . 0.0 111.497 -171.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.8 mp0 -59.89 -42.9 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -75.45 -25.8 57.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.047 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.23 78.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.287 0.565 . . . . 0.0 109.635 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -63.77 -46.98 82.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.182 174.79 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.67 -44.78 73.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.447 ' HB2' HD13 ' A' ' 135' ' ' LEU . 77.8 t80 -52.14 -46.29 65.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 177.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 t -62.92 -44.98 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.86 -51.32 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.16 0.505 . . . . 0.0 110.445 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -62.97 -42.32 99.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -63.45 -50.07 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.123 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD2' ' HZ ' ' A' ' 82' ' ' PHE . 97.9 mtt180 -66.41 -36.06 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -61.61 -50.55 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 111.08 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -28.11 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 0.0 110.651 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -75.13 -41.77 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.955 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 m -67.16 -43.11 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.68 -34.67 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.684 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -114.38 173.23 6.56 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.79 138.59 5.72 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.8 m-85 -120.99 140.0 52.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.758 0.313 . . . . 0.0 110.528 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.24 117.27 11.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 -179.497 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.4 tp -106.79 110.12 22.21 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.603 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.96 114.13 28.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -104.26 112.91 4.26 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.865 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.0 m -152.69 132.86 13.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.96 -27.98 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.447 ' CE2' HD23 ' A' ' 129' ' ' LEU . 10.0 p90 -122.76 171.23 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.917 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.43 ' HB ' ' OE1' ' A' ' 127' ' ' GLN . 8.7 p -73.07 154.23 90.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -169.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 20.7 Cg_exo -66.02 -24.36 52.76 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.236 2.624 . . . . 0.0 112.505 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.43 ' OE1' ' HB ' ' A' ' 125' ' ' THR . 23.7 mp0 -67.05 -24.55 66.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.626 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -99.72 5.13 45.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.575 HD22 ' HG3' ' A' ' 93' ' ' GLU . 85.9 mt -85.45 133.69 34.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.53 70.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.628 0.728 . . . . 0.0 109.733 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 pt -119.42 177.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.36 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -54.94 138.81 42.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.566 0.541 . . . . 0.0 110.403 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 0.0 OUTLIER -70.46 -33.51 71.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.83 0.348 . . . . 0.0 110.527 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.8 -28.36 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 104' ' ' PHE . 58.7 tp -81.28 -37.19 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.982 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -61.91 -38.62 89.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.334 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.6 p -64.57 -37.16 86.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.362 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 28.5 mmt180 -69.69 -19.56 63.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.267 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -70.42 -19.6 62.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.52 9.81 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.787 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 36.3 m-85 -94.42 11.56 30.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.654 0.264 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 40' ' ' TYR . 28.6 p -116.68 -173.62 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mp -109.1 153.69 23.34 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.9 t -118.04 116.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.09 0.471 . . . . 0.0 110.756 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.478 ' HB2' HG12 ' A' ' 41' ' ' VAL . 89.4 m-85 -107.89 130.24 55.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.523 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.89 153.12 19.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.416 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.497 ' HB ' ' HA3' ' A' ' 43' ' ' GLY . 56.4 t -106.2 -82.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.921 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 35.4 ttpt 68.09 124.95 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.495 0 C-N-CA 123.368 0.667 . . . . 0.0 111.424 -176.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 2.1 Cg_endo . . . . . 0 C--O 1.243 0.739 0 C-N-CA 123.156 2.571 . . . . 0.0 111.489 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.25 76.76 1.04 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.394 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -118.62 75.74 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.017 0.436 . . . . 0.0 110.933 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -135.63 -161.05 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.731 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.7 m80 69.32 23.46 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.692 0.62 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -105.55 101.66 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -177.61 114.97 0.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.98 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -147.88 115.85 6.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -170.87 129.77 0.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.709 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -139.06 116.59 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.2 mtp -114.35 91.2 3.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.248 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -108.41 135.16 50.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.468 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 p90 -116.45 133.53 22.97 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.79 0.328 . . . . 0.0 111.365 -174.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 6.1 Cg_exo -74.32 162.24 38.83 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.891 2.394 . . . . 0.0 111.353 174.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 p -153.52 105.21 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.314 0.578 . . . . 0.0 111.471 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HE2' ' HE3' ' A' ' 18' ' ' LYS . 81.3 t80 -153.95 133.57 12.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.941 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -140.14 143.03 35.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 111.93 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HE3' ' HE2' ' A' ' 16' ' ' PHE . 22.3 pttp -173.57 -176.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.473 172.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 43.3 t80 -145.44 -50.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 1.5 pp -114.1 6.27 16.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.061 0.945 . . . . 0.0 110.284 -10.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.81 -127.25 4.0 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.4 m 75.37 -31.07 0.2 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.95 0.5 . . . . 0.0 112.338 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.41 28.09 1.16 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.206 0.527 . . . . 0.0 110.907 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -83.78 24.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.29 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.096 -175.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.9 mt-10 -63.97 -31.72 73.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.062 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.81 -38.14 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.157 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 40.2 t -66.83 -32.33 57.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.233 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -65.95 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.731 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 26' ' ' GLU . 92.6 t -76.23 -43.66 37.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.319 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.688 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 4.6 pp -56.38 145.45 27.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.279 0.562 . . . . 0.0 111.964 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -144.46 42.35 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.756 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m80 68.55 -175.05 0.19 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.206 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -103.1 -175.29 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.991 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -143.6 -170.31 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.75 -161.78 16.7 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.699 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 40.8 mt-30 -78.52 -76.22 0.2 Allowed 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.5 97.71 7.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.023 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -118.56 123.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -110.6 109.13 19.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.82 ' HB ' ' HB ' ' A' ' 147' ' ' VAL . 14.2 m -89.4 122.04 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 7.4 p-90 -120.53 157.97 28.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.491 -172.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.5 80.36 1.52 Allowed Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.903 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.31 135.33 56.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.782 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 6.5 tm-20 -109.2 -40.77 4.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.971 -174.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.18 70.71 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.244 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.65 84.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.61 118.79 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.747 168.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.782 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 75.3 mmtt -128.91 16.82 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.374 0.607 . . . . 0.0 109.708 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 53' ' ' LEU . 10.6 m -68.97 -5.53 22.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.876 -171.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -56.89 -33.09 66.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.988 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.58 -25.91 61.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.08 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.1 mp -70.47 -44.03 68.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.85 -45.92 92.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.131 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 31' ' ' LEU . . . -62.66 -43.23 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.694 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -60.89 -41.39 95.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.644 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 70.5 t -64.4 -49.14 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.234 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.7 82.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.413 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.06 -43.65 98.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.94 68.47 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 79.5 mt -61.9 -47.83 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.6 -21.53 65.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.936 0.398 . . . . 0.0 111.201 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -14.83 60.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.71 20.69 33.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.085 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -102.54 -174.46 2.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 51.8 t30 -109.47 133.07 53.52 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -153.1 141.62 20.81 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.442 -175.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.73 142.11 28.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.5 p90 -111.35 136.02 51.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.718 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 71.1 mt -132.99 128.13 56.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.411 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -121.23 126.71 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.03 12.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.672 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 91' ' ' GLN . . . -114.36 20.17 15.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.241 0.543 . . . . 0.0 110.582 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -167.09 -33.12 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.935 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.505 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 76.2 mtm -128.27 144.58 52.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -84.83 170.1 10.16 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.98 2.453 . . . . 0.0 111.239 172.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 102' ' ' LEU . 38.3 tp -86.64 144.66 27.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 p -125.28 163.13 23.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.0 111.16 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.22 -12.92 59.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.505 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -24.86 66.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.797 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -59.48 -20.94 59.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.163 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 66.8 m-85 -74.6 -18.38 60.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.966 0.412 . . . . 0.0 110.973 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -89.59 -24.21 21.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 0.0 110.766 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.45 113.87 22.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.65 -42.72 98.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.448 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 42.8 m-85 -101.8 107.14 18.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.963 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 81' ' ' ALA . 35.9 tp -116.26 130.51 56.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.351 0.596 . . . . 0.0 110.972 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.7 117.44 28.92 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.137 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.33 118.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.937 0.399 . . . . 0.0 110.613 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.17 175.53 5.43 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.606 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 10.1 mp0 62.22 37.25 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.121 0.486 . . . . 0.0 111.02 -175.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.35 157.94 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.289 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 75.83 -14.49 0.78 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.456 0.702 . . . . 0.0 111.201 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -91.93 4.88 51.98 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 122.102 -0.374 . . . . 0.0 111.433 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.62 150.74 39.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.497 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.63 -79.04 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.167 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -148.86 -66.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.326 -174.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.21 -35.93 74.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.938 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.624 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -73.86 -32.28 63.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.301 . . . . 0.0 110.666 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.14 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.479 . . . . 0.0 110.104 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -66.27 -45.68 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.179 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.66 -44.71 73.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.59 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -56.5 -46.74 80.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 174.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.432 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.4 t -59.53 -36.41 76.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.422 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.51 -49.0 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HE1' ' SG ' ' A' ' 142' ' ' CYS . 10.6 m-85 -61.03 -32.11 71.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.054 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.671 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 44.1 t30 -62.21 -59.32 5.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.696 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.0 -48.91 67.16 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.339 0.399 . . . . 0.0 111.31 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.21 -55.16 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.699 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.14 -18.26 53.51 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.671 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 3.1 t-20 -63.82 -47.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 110.081 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -97.4 -4.54 38.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.49 37.85 94.17 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.415 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -132.57 174.82 9.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.26 162.36 36.73 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.661 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.3 m-85 -132.07 132.92 43.77 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 24.1 tp -135.3 136.39 41.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.456 0.646 . . . . 0.0 110.727 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.6 tp -128.65 118.98 23.84 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.551 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.52 149.08 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.16 -156.25 6.83 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.554 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 m 72.68 152.61 0.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.246 0.618 . . . . 0.0 112.137 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.08 -163.71 0.25 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.062 174.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.611 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 89.3 m-85 -98.57 -84.03 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 p -134.69 153.27 78.8 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.35 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.3 Cg_exo -61.84 -16.69 50.81 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.166 2.577 . . . . 0.0 111.974 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.91 -18.91 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.144 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -129.12 12.9 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 126' ' ' PRO . 62.2 mt -77.29 159.29 29.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.424 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.9 t -87.04 66.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.792 0.806 . . . . 0.0 110.072 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 136' ' ' ARG . 14.4 pt -122.8 160.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.642 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -90.42 164.67 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.33 -46.52 83.18 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -168.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.12 -30.89 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.155 0.503 . . . . 0.0 111.029 -174.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 135' ' ' LEU . 5.8 tt -82.47 -36.98 26.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.317 0.58 . . . . 0.0 109.574 175.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 131' ' ' ILE . 16.7 ttt180 -59.66 -38.91 82.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.793 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.7 p -67.52 -36.4 80.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.337 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.01 -36.75 80.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 175.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.0 mmt -65.9 -25.07 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.203 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.82 -12.69 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -88.85 5.39 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.402 ' SG ' ' HE1' ' A' ' 107' ' ' PHE . 79.9 m -106.67 142.35 36.46 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.631 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.29 154.37 35.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.44 116.51 52.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.814 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 43.6 m-85 -132.41 144.49 50.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 111.633 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.33 129.68 37.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' VAL . . . . . 0.82 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 6.5 p -98.69 86.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.097 0.951 . . . . 0.0 110.262 174.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -127.43 148.97 68.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.51 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.414 ' CD ' ' HG3' ' A' ' 45' ' ' GLU . 54.3 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.767 2.312 . . . . 0.0 111.882 175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 pttt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.671 0.272 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -158.84 -164.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.651 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.15 164.68 6.14 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 48.1 tt0 -68.12 -55.35 12.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.119 -0.541 . . . . 0.0 111.56 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' HD2' ' A' ' 110' ' ' PHE . 75.5 m-85 -116.03 103.05 10.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.1 mm -123.31 131.25 73.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.323 0.583 . . . . 0.0 111.527 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 42.3 t80 -118.33 123.25 44.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.379 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.8 m -120.95 153.44 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.3 p-90 . . . . . 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 0.0 110.75 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.596 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 m . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.46 -33.94 71.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.009 -0.432 . . . . 0.0 110.707 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.26 -30.83 63.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.108 0.48 . . . . 0.0 109.736 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 50' ' ' SER . 9.5 mp -66.66 -44.89 80.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.81 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.43 -38.42 89.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.452 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.42 -48.76 78.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.503 0.668 . . . . 0.0 110.831 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 36.7 t90 -66.34 -38.77 88.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.787 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 69' ' ' TYR . 56.2 t -64.85 -44.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.562 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.49 87.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.807 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -64.85 -28.62 69.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.773 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.31 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.301 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.1 -36.41 77.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.219 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.32 -26.66 68.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.633 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.9 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 110.784 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.9 16.1 75.84 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.92 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -103.58 153.43 20.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.56 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 14.7 t-20 -81.26 133.88 35.51 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 -175.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -155.97 141.57 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.085 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 146.36 24.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 111.153 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 57' ' ' VAL . 29.7 p90 -116.33 137.61 52.01 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.08 130.08 69.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.558 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 7.8 m-20 -79.53 105.19 10.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.86 3.18 2.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.893 0.377 . . . . 0.0 111.69 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.38 9.34 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.558 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 32.0 t -141.47 -29.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.332 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.5 mtm -132.1 144.26 52.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.329 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.32 160.52 15.09 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.414 2.076 . . . . 0.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 49.9 tp -91.24 144.85 25.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.804 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.2 p -131.54 164.89 24.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.471 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.03 -21.3 65.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.56 . . . . 0.0 110.406 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -24.06 64.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.359 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.15 -21.48 61.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.003 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.14 -13.01 62.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.06 -28.98 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 110.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -83.9 138.67 33.06 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.986 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -91.9 -31.54 15.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.718 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.444 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.7 m-85 -109.31 113.17 25.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.014 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.8 mm? -114.45 136.05 53.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 111.21 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.44 125.34 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.053 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 53.7 t -124.86 114.87 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -107.27 150.7 26.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 66.57 32.4 7.26 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.457 0.473 . . . . 0.0 111.402 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.32 119.9 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.515 0.674 . . . . 0.0 110.318 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 9.0 pt-20 172.87 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.151 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.542 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 30.4 mmmt -88.77 14.5 10.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.936 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.75 133.61 56.26 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.34 -84.46 1.74 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.522 -0.846 . . . . 0.0 113.345 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -139.41 -72.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.295 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.55 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.662 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.16 -32.03 73.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.981 -178.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.561 ' HG3' HD22 ' A' ' 135' ' ' LEU . 25.9 tt0 -72.55 -42.25 64.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.162 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.46 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.236 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -61.06 -49.35 77.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.251 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -58.06 -45.0 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.016 177.332 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.56 -46.45 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.004 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -62.1 -37.44 85.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.331 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.463 HD12 HD22 ' A' ' 103' ' ' LEU . 75.0 mt -58.6 -46.43 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.246 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -56.54 -43.44 79.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.596 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 58.6 t30 -63.44 -47.43 81.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.459 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HE ' ' C ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -60.26 -33.5 72.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.446 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.704 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 10.7 m-30 -69.13 -56.05 8.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -66.74 -33.87 76.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.198 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -66.62 -50.79 61.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -74.55 -29.19 61.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.676 -175.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.54 25.13 33.85 Favored Glycine 0 CA--C 1.507 -0.421 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -131.14 -164.03 1.39 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.856 -1.172 . . . . 0.0 109.341 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 91.37 125.41 3.33 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.908 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 81.2 m-85 -119.28 131.65 55.79 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.2 tp -139.04 141.3 38.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.486 0.66 . . . . 0.0 111.149 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.8 tp -141.36 116.3 9.84 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.351 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.2 mp -121.41 148.3 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.749 0.309 . . . . 0.0 110.814 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -142.59 135.96 6.88 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.204 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 80.7 p -156.22 -167.85 2.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.87 -5.3 21.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 125' ' ' THR . 62.8 m-85 -121.88 -88.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.79 -171.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 178.38 154.25 0.52 Allowed Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 123.035 0.534 . . . . 0.0 110.191 -178.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 54.8 Cg_endo -70.43 -28.57 21.86 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.4 2.067 . . . . 0.0 113.227 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -100.41 4.29 43.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.973 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -115.67 -16.49 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 125' ' ' THR . 73.1 mt -70.7 152.05 44.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.276 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.82 92.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.108 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.21 171.49 12.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.154 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.63 ' HB3' ' OD1' ' A' ' 134' ' ' ASP . 9.5 tpt180 -78.68 156.31 29.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.492 ' OE2' ' HG3' ' A' ' 132' ' ' ARG . 1.3 pm0 -68.5 -23.12 64.52 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.63 ' OD1' ' HB3' ' A' ' 132' ' ' ARG . 15.7 p-10 -69.74 -38.54 76.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.948 0.404 . . . . 0.0 110.194 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 100' ' ' GLN . 28.8 tp -79.2 -40.03 31.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.85 -36.82 77.64 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.536 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.1 p -67.32 -32.28 73.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.48 -27.26 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.2 mmm -64.54 -18.51 64.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.49 -15.95 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.453 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -79.41 -11.66 59.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 80.1 m -94.87 139.19 31.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.04 154.84 29.13 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.61 114.7 47.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.063 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.35 122.45 39.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.486 0.66 . . . . 0.0 111.771 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 . . . . . 0 C--N 1.315 -0.899 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.205 172.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 pttp . . . . . 0 C--O 1.233 0.199 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HD2' ' HB2' ' A' ' 56' ' ' TRP . 82.9 m-70 -137.15 177.29 7.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.86 -164.44 20.2 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.855 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.606 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 41.2 tt0 -78.73 -76.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.696 0.284 . . . . 0.0 110.89 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 74.4 m-85 -96.34 97.75 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 145' ' ' TYR . 49.3 mm -123.81 118.96 55.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -175.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 46.3 t80 -110.5 113.81 26.74 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 145' ' ' TYR . 22.5 m -108.4 132.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.321 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 . . . . . 0 C--N 1.32 -0.705 0 CA-C-O 121.531 0.681 . . . . 0.0 110.372 178.32 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.803 0.335 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -63.91 -45.78 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.929 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.37 -29.58 67.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.067 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HA ' HD23 ' A' ' 119' ' ' LEU . 9.9 mp -73.86 -47.38 38.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.715 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.44 -37.06 85.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.774 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 110.389 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.8 t90 -65.74 -43.35 89.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.557 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 69' ' ' TYR . 55.6 t -62.24 -47.83 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.356 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.13 79.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.201 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -61.76 -45.43 93.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.47 89.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.061 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.27 -48.95 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.212 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.49 -23.44 61.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.157 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.35 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.09 21.73 27.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.262 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.17 178.42 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' A' ' 85' ' ' GLU . 16.4 t-20 -102.89 134.41 46.36 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -153.71 135.28 14.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.984 0.421 . . . . 0.0 111.663 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.37 142.78 37.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.7 p90 -116.65 132.14 56.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.789 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.8 mt -131.47 117.65 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.269 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.757 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 21.0 p-10 -104.42 109.51 21.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.3 56.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.662 -170.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.14 -3.95 50.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 42.4 t -133.33 -30.4 1.31 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.41 ' HB2' ' HE2' ' A' ' 75' ' ' MET . 63.8 mtm -133.81 144.06 50.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.59 163.13 16.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.629 2.219 . . . . 0.0 112.046 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 tp -79.91 143.56 34.14 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.2 p -132.83 157.65 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.05 -12.37 60.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.13 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -25.87 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.777 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -61.53 -17.39 54.56 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.822 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -62.84 -24.2 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.07 -32.29 56.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.53 120.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' ' HB3' ' A' ' 66' ' ' ASN . 11.8 pt-20 -73.29 -39.93 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.951 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 36.6 m-85 -86.36 109.98 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -121.75 121.06 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.064 0.459 . . . . 0.0 110.624 -177.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.82 120.37 41.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.439 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.31 120.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.898 0.38 . . . . 0.0 110.813 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.757 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.9 t70 -93.02 127.13 38.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 62.75 65.5 0.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.428 0.632 . . . . 0.0 111.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 120' ' ' LEU . 24.7 t -65.44 -32.74 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.958 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.92 -10.32 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.607 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -2.48 58.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.695 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 89.3 mt -82.42 135.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.3 -110.62 2.04 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.894 -175.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -95.17 -67.44 0.85 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -170.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.33 -36.3 82.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.02 0.438 . . . . 0.0 110.809 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.4 mp0 -60.62 -41.11 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.594 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.562 ' HG3' HD22 ' A' ' 135' ' ' LEU . 7.4 tt0 -66.3 -41.63 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.79 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.21 -49.71 70.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.939 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 106' ' ' ILE . 51.2 tp -56.67 -38.24 71.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.225 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.91 -46.25 82.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.633 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -32.04 73.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.472 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 103' ' ' LEU . 70.0 mt -60.58 -49.76 83.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.429 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -59.47 -38.41 80.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.58 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.207 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -43.53 96.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 110.917 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HD2' HD21 ' A' ' 118' ' ' LEU . 16.5 m-30 -64.15 -41.68 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.0 111.386 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.598 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -76.69 -45.2 30.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.032 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -76.97 -43.97 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.357 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.11 -28.88 6.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mtmt -89.33 -166.53 1.62 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.706 -0.747 . . . . 0.0 110.353 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 85' ' ' GLU . . . 104.3 119.49 4.62 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 119.89 -1.147 . . . . 0.0 112.613 -177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 7.1 m-85 -123.01 118.62 28.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.493 HD21 ' HD2' ' A' ' 110' ' ' PHE . 4.0 mm? -107.06 111.05 23.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -177.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 53' ' ' LEU . 54.0 tp -105.02 102.85 12.32 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 92' ' ' VAL . 70.5 mt -108.49 111.72 23.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.47 -175.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.78 116.5 4.87 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.541 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 179.04 6.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.58 -48.8 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.065 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.6 -178.76 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.031 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 12.3 p -91.3 154.12 44.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 Cg_exo -67.87 -32.49 29.06 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.938 2.426 . . . . 0.0 112.838 -170.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -86.13 1.15 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.752 0.31 . . . . 0.0 110.759 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.38 -6.56 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.605 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 125' ' ' THR . 97.3 mt -94.92 158.12 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.226 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.44 86.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.12 172.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.119 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 132' ' ' ARG . 51.6 mtt-85 -83.9 155.48 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.302 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -54.79 -39.15 68.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.384 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.32 -44.53 80.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.875 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 100' ' ' GLN . 35.8 tp -79.93 -41.84 25.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.645 -178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -61.61 -37.13 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.529 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.7 p -69.34 -35.93 76.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.803 0.335 . . . . 0.0 111.284 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -75.89 -19.66 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 111.565 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.5 mmt -69.45 -21.11 63.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.972 0.415 . . . . 0.0 110.759 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.91 64.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.532 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -74.15 -20.62 60.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.511 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 81.0 m -92.27 132.46 36.67 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.394 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.21 154.15 41.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.238 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.08 116.49 52.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.868 0.366 . . . . 0.0 110.567 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.525 ' HB2' HG12 ' A' ' 41' ' ' VAL . 35.3 m-85 -113.93 121.84 45.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.265 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.393 177.772 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 89.6 mttt . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -160.08 -174.49 4.58 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.853 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.18 -167.76 4.31 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.286 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.73 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.592 -0.357 . . . . 0.0 111.212 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 90.7 m-85 -100.87 94.77 6.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.28 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 143' ' ' LEU . 45.2 mm -126.23 124.22 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.018 0.437 . . . . 0.0 110.9 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -113.38 125.07 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.028 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.553 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 27.8 m -122.3 157.57 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.3 m95 . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.9 0.381 . . . . 0.0 111.88 -179.582 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.595 ' HB3' HD13 ' A' ' 53' ' ' LEU . 8.9 m . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 121.818 0.818 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.38 -45.65 90.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.962 -171.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.0 tp -76.07 -30.73 58.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.749 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 119' ' ' LEU . 8.5 mp -64.86 -55.96 16.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 111.918 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.43 -39.25 93.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.213 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.07 95.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.885 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 41.9 t90 -60.36 -41.23 93.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 69' ' ' TYR . 60.5 t -59.08 -49.02 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 62' ' ' GLU . . . -61.67 -37.1 82.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.206 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.28 -41.9 99.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.637 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -36.47 82.34 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 93.7 mt -60.84 -36.59 79.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.83 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 58' ' ' ALA . 49.6 mt-10 -59.98 -35.3 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.583 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.42 5.74 11.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.32 19.35 71.99 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.06 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 86' ' ' TYR . 67.3 mmtt -99.08 157.54 16.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -91.97 133.86 35.32 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.911 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . . . -156.23 149.3 24.25 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.637 -178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.06 129.55 17.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.956 0.407 . . . . 0.0 111.45 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HB3' HG21 ' A' ' 57' ' ' VAL . 37.8 p90 -103.77 119.53 39.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.0 mt -106.94 114.85 47.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.503 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 49.1 t0 -85.94 107.96 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.041 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.0 -10.88 15.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.54 -3.52 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.4 t -134.69 -25.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.4 144.56 48.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.473 -176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.36 160.89 5.55 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.581 2.187 . . . . 0.0 111.835 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 99' ' ' GLU . 36.7 tp -79.27 142.56 36.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -145.27 -179.36 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 111.428 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.02 -17.7 63.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.136 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.02 57.35 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.42 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.97 67.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.689 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.503 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.2 m-85 -78.22 -13.64 59.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.286 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -89.02 -21.68 23.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.813 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.73 134.8 33.6 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.401 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.25 -44.79 71.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.778 173.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.724 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 69.7 m-85 -107.89 123.48 48.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.644 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.5 127.28 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.278 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -133.8 134.72 43.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.68 174.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 92' ' ' VAL . 48.2 t -120.19 118.52 57.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.506 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -80.54 127.12 32.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.346 174.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.506 ' NE2' ' HB3' ' A' ' 90' ' ' ASP . 2.4 mp0 66.85 54.37 0.8 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.532 0.52 . . . . 0.0 111.05 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 89' ' ' VAL . 47.4 t -57.57 -32.26 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.424 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.702 ' HB2' ' HA ' ' A' ' 123' ' ' GLU . 22.0 tt0 -60.98 -18.55 58.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.942 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 25.3 mmmt -99.55 10.63 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -170.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.5 152.47 34.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.299 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.57 -151.96 23.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.92 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -73.1 -52.44 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.16 -34.82 77.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 77' ' ' LEU . 17.9 mp0 -59.76 -41.61 91.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.266 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -61.61 -46.2 90.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.49 94.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -68.77 -45.65 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -54.62 -45.89 73.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.052 175.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.446 ' HE1' ' HE ' ' A' ' 138' ' ' ARG . 43.5 t80 -56.08 -47.71 77.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.703 174.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.503 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 70.7 m -59.99 -30.92 69.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 103' ' ' LEU . 76.1 mt -67.09 -44.4 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.451 174.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.73 -42.07 92.31 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.116 0.484 . . . . 0.0 110.1 173.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 7.6 t30 -61.18 -38.52 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.228 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.82 -45.05 91.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.452 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -62.42 -43.83 97.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 110.612 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -72.13 -32.7 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.425 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.4 OUTLIER -69.78 -37.35 76.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.32 -178.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -100.23 -37.41 8.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.054 -174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.59 59.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -170.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -131.05 173.38 11.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -176.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.54 160.64 33.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.141 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.724 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 64.0 m-85 -134.54 150.39 50.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 37.0 tp -127.54 158.3 37.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.709 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 33.2 tp -156.2 117.39 3.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.013 174.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.9 mt -108.39 149.72 28.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.197 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -166.74 162.95 36.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.277 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.465 ' HB3' ' H ' ' A' ' 91' ' ' GLN . 21.1 t 63.89 79.5 0.26 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.3 0.571 . . . . 0.0 111.228 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.702 ' HA ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 pt-20 -169.51 171.28 7.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.881 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 125' ' ' THR . 0.1 OUTLIER -73.87 -70.63 0.37 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -173.18 151.12 2.02 Favored Pre-proline 0 N--CA 1.465 0.275 0 C-N-CA 123.198 0.599 . . . . 0.0 109.608 172.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.08 -25.01 44.27 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.614 2.209 . . . . 0.0 112.468 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -93.44 -15.82 25.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.597 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -103.87 -24.23 13.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.108 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 125' ' ' THR . 83.6 mt -68.73 140.94 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 110.69 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.67 79.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.19 0.519 . . . . 0.0 109.723 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.4 pt -112.06 -179.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.349 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.539 ' HE ' ' HB3' ' A' ' 134' ' ' ASP . 46.5 ttp180 -65.42 134.59 53.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -54.31 -34.46 61.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.91 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.539 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 2.4 t70 -64.0 -35.67 81.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.038 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 tp -81.43 -31.42 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -62.74 -37.03 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -74.47 -30.6 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.338 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 38.9 mmt180 -69.3 -27.1 65.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.218 0.533 . . . . 0.0 110.235 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.0 mmt -73.7 -18.38 61.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.946 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.06 70.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 138' ' ' ARG . 29.5 p90 -95.6 16.12 18.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.251 0.548 . . . . 0.0 111.197 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 42.4 t -103.57 123.96 47.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.9 mp -67.54 154.28 41.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.13 116.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.517 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 m-85 -123.37 117.43 25.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.277 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 2.5 mptp? . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -110.78 167.56 10.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.654 0.264 . . . . 0.0 111.574 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA3' HG13 ' A' ' 39' ' ' ILE . . . 108.45 158.04 19.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.438 173.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.518 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 45.4 tt0 -114.82 -57.7 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 19.4 m-85 -108.04 96.84 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.029 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.473 HG13 ' HA3' ' A' ' 36' ' ' GLY . 47.0 mm -128.14 132.54 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 111.427 -174.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 54.8 t80 -111.23 128.7 56.01 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.036 172.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 145' ' ' TYR . 27.6 m -122.31 146.67 27.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.594 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.7 p-90 . . . . . 0 C--N 1.321 -0.632 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.503 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.424 ' HA ' ' HB3' ' A' ' 53' ' ' LEU . 7.9 p . . . . . 0 C--O 1.233 0.197 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -63.75 -58.75 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.999 0.428 . . . . 0.0 110.651 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.99 -35.01 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 13.1 tp -58.11 -51.94 67.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.71 -45.11 62.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.518 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -59.4 -43.82 92.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 69' ' ' TYR . 68.1 t -69.04 -54.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.005 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.89 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.106 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.944 177.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -35.05 73.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.774 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.22 -50.1 75.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.447 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.54 -6.92 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 -7.33 59.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.98 27.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.203 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -111.41 172.3 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 52.0 t30 -104.27 133.29 49.44 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.74 150.39 28.47 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.4 149.29 20.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.789 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB3' HG21 ' A' ' 57' ' ' VAL . 48.2 p90 -125.38 142.77 51.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.845 0.355 . . . . 0.0 110.255 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.518 HG13 HD12 ' A' ' 77' ' ' LEU . 38.4 mm -122.48 113.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.324 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 1.005 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.2 m-20 -89.08 94.47 9.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.466 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -66.29 -14.38 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.77 -8.03 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.688 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 m -135.47 -25.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.376 . . . . 0.0 111.919 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 76.3 mtm -134.13 151.93 77.43 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -172.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -81.93 160.8 18.51 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.576 2.184 . . . . 0.0 112.134 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 70' ' ' ILE . 36.4 tp -91.22 144.32 25.74 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 p -135.26 174.27 10.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 111.367 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.2 -13.05 59.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.586 -174.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.01 58.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.433 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -27.79 63.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.491 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -72.98 -14.28 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.6 -29.38 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -88.31 128.93 35.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.547 -175.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.75 -32.92 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.25 0.548 . . . . 0.0 110.08 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.5 m-85 -106.64 93.41 4.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.299 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 110.334 -174.182 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 53' ' ' LEU . . . -116.27 132.56 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.329 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 103' ' ' LEU . 48.3 t -120.94 129.27 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 1.005 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 12.9 t70 -106.56 135.12 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 2.1 mp0 49.86 76.4 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.09 -18.85 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.527 0.679 . . . . 0.0 110.005 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.785 ' HB2' HD22 ' A' ' 129' ' ' LEU . 6.1 tm-20 -74.07 -25.15 59.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.229 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.6 mmmt -83.81 1.08 44.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 84.0 mt -84.5 149.08 26.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.39 -93.45 1.04 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.727 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -118.57 -70.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.43 -34.31 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.068 -173.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.7 mp0 -58.02 -42.22 84.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.925 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.23 -30.37 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.97 79.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.126 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.1 tm? -63.57 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.257 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -54.95 -47.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.058 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -57.69 -45.29 85.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.84 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -58.08 -37.2 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.588 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 103' ' ' LEU . 75.3 mt -59.03 -50.4 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.347 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.12 -43.64 91.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -48.58 66.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.065 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 38' ' ' PHE . 2.3 m-85 -66.75 -35.12 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -70.59 -26.46 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.998 0.428 . . . . 0.0 110.305 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.95 -44.26 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.491 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -78.68 -43.17 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.634 0.254 . . . . 0.0 110.694 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.38 -31.61 7.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.348 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 67.7 tttt -97.03 172.55 7.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.468 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 117.89 137.91 5.88 Favored Glycine 0 C--N 1.313 -0.7 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.308 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 19.6 m-85 -109.28 131.54 54.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.78 0.324 . . . . 0.0 110.287 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.87 121.42 21.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.184 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . 56.1 tp -115.21 105.68 13.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.398 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.8 mp -100.76 118.32 36.62 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.056 0.455 . . . . 0.0 110.011 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 90' ' ' ASP . . . -116.9 134.26 11.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.46 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 11.2 t -152.76 152.42 31.64 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -78.8 7.63 6.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.009 0.433 . . . . 0.0 110.889 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' HD21 ' A' ' 129' ' ' LEU . 52.5 m-85 -139.67 174.73 10.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.623 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 82.3 p -88.45 155.51 51.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.661 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 Cg_endo -69.0 -15.57 40.04 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.49 -5.23 57.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.453 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 125' ' ' THR . 19.1 pt20 -120.03 2.54 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.746 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.785 HD22 ' HB2' ' A' ' 93' ' ' GLU . 81.7 mt -82.79 143.69 30.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.431 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.8 t -83.8 86.8 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.333 0.587 . . . . 0.0 109.686 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.644 ' HB ' HD23 ' A' ' 135' ' ' LEU . 17.8 pt -133.43 168.93 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.446 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -64.49 148.68 50.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.84 -54.59 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 10.4 t70 -66.56 -38.82 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 110.152 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.644 HD23 ' HB ' ' A' ' 131' ' ' ILE . 41.1 tp -56.74 -48.8 76.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.245 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' HB2' HG13 ' A' ' 131' ' ' ILE . 74.6 ttt180 -60.01 -27.93 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.774 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.3 m -76.32 -36.44 58.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.686 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 27.1 mmt180 -70.99 -18.89 62.59 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.709 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 92.4 mmm -64.16 -18.7 64.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.911 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.05 4.79 21.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -94.13 5.27 52.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 28.3 p -124.71 146.13 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.02 0.438 . . . . 0.0 109.976 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.447 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.1 mp -80.15 154.62 27.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.081 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 119.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.165 0.507 . . . . 0.0 110.887 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.0 m-30 -97.87 118.81 35.27 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.235 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.582 -176.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.5 pttt . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -148.89 -163.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.919 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.22 -164.04 4.66 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.484 -0.389 . . . . 0.0 113.5 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -84.33 -58.86 2.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.561 0.219 . . . . 0.0 111.553 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -100.05 92.12 5.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.034 0.445 . . . . 0.0 109.96 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 119' ' ' LEU . 49.3 mm -121.78 125.16 72.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.926 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 28.7 t80 -105.73 126.75 52.53 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.302 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.565 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 26.7 m -121.01 138.03 52.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 C--N 1.318 -0.784 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 1.1 p . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -63.07 -33.97 76.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.559 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.53 -43.09 67.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 119' ' ' LEU . 8.3 mp -69.61 -37.15 76.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.681 -178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 77.8 t90 -63.62 -41.74 98.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.576 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 53' ' ' LEU . 75.1 t -63.86 -47.49 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.68 95.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.867 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -37.92 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.74 178.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.95 -39.96 61.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.01 -48.07 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.191 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.14 -14.04 62.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.202 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.44 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 17.17 39.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.238 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -117.88 174.45 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -102.61 134.55 45.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.1 0.476 . . . . 0.0 111.103 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 152.0 38.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.429 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB3' HD22 ' A' ' 87' ' ' LEU . . . -125.93 126.93 45.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.07 0.462 . . . . 0.0 111.497 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -99.97 113.64 26.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.536 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.5 139.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 111.189 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 7.7 m-20 -108.11 108.8 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.67 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -103.75 17.26 24.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 111.563 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 41.9 t -138.82 -38.33 0.51 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 109.768 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 65.5 mtm -129.96 142.95 47.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.503 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.73 154.58 34.59 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.281 1.987 . . . . 0.0 111.527 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 102' ' ' LEU . 26.6 tp -77.01 142.3 39.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.3 p -134.73 172.79 12.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.16 0.505 . . . . 0.0 111.479 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.14 -15.54 63.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.035 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.02 64.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.123 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.86 66.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.92 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -79.07 -13.9 59.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 111.079 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.44 -25.97 30.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.196 0.522 . . . . 0.0 111.205 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 145.63 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -85.01 -25.25 27.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.274 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 14.6 m-85 -129.86 128.75 42.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.228 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -120.31 125.27 47.64 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.9 0.381 . . . . 0.0 111.923 -172.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.42 124.85 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -130.31 119.7 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.29 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 50' ' ' SER . 4.1 t0 -104.59 175.1 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 36.3 mt-30 56.64 34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.397 0.679 . . . . 0.0 110.931 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 61.9 t -63.31 -12.96 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.641 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 123' ' ' GLU . 7.1 tp10 -61.74 -20.07 63.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.212 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 1.5 mppt? -112.33 30.35 7.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 39.8 mt -61.22 134.49 57.05 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.799 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.69 -102.45 2.42 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.877 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.11 -63.71 1.09 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.642 -0.328 . . . . 0.0 111.617 -174.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.55 -37.43 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.315 0.579 . . . . 0.0 110.742 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.41 -37.8 82.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.799 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.41 ' OE1' ' HB ' ' A' ' 131' ' ' ILE . 41.7 mt-30 -64.81 -43.55 92.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.03 92.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.554 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.39 -49.13 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.802 179.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.591 HD12 HD21 ' A' ' 135' ' ' LEU . 2.5 tm? -54.87 -45.21 74.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.713 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -52.86 -45.15 67.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.835 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 t -68.7 -41.12 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.94 -51.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.446 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -61.51 -42.87 99.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.766 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.54 -47.5 83.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.796 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.53 -40.67 85.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.533 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -66.76 -34.78 78.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.124 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 107' ' ' PHE . 33.0 mtm180 -72.78 -30.77 64.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.012 0.434 . . . . 0.0 111.244 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -77.34 -45.24 26.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.992 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -70.87 -35.71 72.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.58 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.76 -13.89 63.12 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 75.2 tttt -125.95 175.04 7.98 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' TYR . . . 130.73 -16.6 5.32 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 19.5 m-85 42.36 86.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.281 1.033 . . . . 0.0 112.615 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -95.13 123.77 38.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.543 0.687 . . . . 0.0 110.487 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.521 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.0 tp -118.99 115.78 25.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.57 141.05 48.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -140.29 143.27 13.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.669 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.1 p -150.24 -163.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 93' ' ' GLU . 11.9 pt-20 -119.76 -23.22 6.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -170.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 125' ' ' THR . 28.2 m-85 -105.22 -85.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.894 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -172.68 159.71 3.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.198 0.599 . . . . 0.0 109.734 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.685 ' HD3' ' CE2' ' A' ' 40' ' ' TYR . 37.0 Cg_endo -65.19 -27.53 56.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.59 2.193 . . . . 0.0 112.424 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.31 -5.12 59.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.112 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -104.93 -2.33 24.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.03 133.4 48.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.411 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.02 85.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.374 0.607 . . . . 0.0 109.856 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.41 ' HB ' ' OE1' ' A' ' 100' ' ' GLN . 30.9 pt -142.53 -174.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 132' ' ' ARG . 11.7 mmt180 -56.26 130.72 45.62 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 110.701 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.3 pm0 -70.01 -29.88 67.06 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.983 -174.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 6.1 p-10 -73.5 -29.11 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.255 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 103' ' ' LEU . 5.6 tt -81.34 -41.3 22.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.68 -22.78 66.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.121 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 p -78.55 -28.91 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 32.5 mmt180 -72.28 -15.11 61.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.032 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.94 -17.33 61.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.67 4.24 8.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -87.43 12.39 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.16 159.83 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 143' ' ' LEU . 6.3 mp -81.93 154.72 25.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.95 114.98 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 36.7 m-85 -118.12 144.38 45.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.143 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 121.285 0.565 . . . . 0.0 110.669 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG2' ' H ' ' A' ' 35' ' ' HIS . 80.3 tttt . . . . . 0 CA--C 1.542 0.65 0 CA-C-O 120.626 0.25 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.84 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -169.2 -171.87 1.39 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.128 0.571 . . . . 0.0 109.782 174.395 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.55 177.38 17.47 Favored Glycine 0 C--N 1.333 0.378 0 O-C-N 123.562 0.539 . . . . 0.0 114.064 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.4 mt-30 -71.26 -76.38 0.11 Allowed 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -94.77 103.15 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.448 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.44 HG22 HG13 ' A' ' 41' ' ' VAL . 70.1 mt -135.52 132.95 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 111.243 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 126' ' ' PRO . 52.2 t80 -106.05 122.56 46.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.434 172.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 HG22 ' A' ' 39' ' ' ILE . 11.0 m -123.39 110.73 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.265 0.555 . . . . 0.0 111.459 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 9.7 p-90 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 41.0 p-80 -59.94 -30.56 69.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 tp -71.4 -29.43 64.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.897 0.38 . . . . 0.0 110.904 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' HB1' ' A' ' 88' ' ' ALA . 7.8 mp -73.73 -34.28 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.831 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 13.6 pt20 -62.92 -35.92 81.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.299 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.78 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.7 t90 -84.72 -41.38 16.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.226 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.9 t -69.55 -51.18 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.802 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.91 81.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.598 -174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -68.51 -42.02 79.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.38 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' HB3' ' A' ' 67' ' ' ALA . 24.2 mt -60.52 -50.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.381 178.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -78.05 -11.01 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.174 0.512 . . . . 0.0 111.159 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.93 -10.61 59.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.99 8.46 47.86 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.871 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -110.12 154.49 23.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 37.8 t30 -82.6 133.3 35.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.786 0.327 . . . . 0.0 110.216 -176.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . . . -151.96 148.36 27.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.66 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 47.7 p90 -119.06 139.6 51.47 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -136.33 121.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.124 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.529 ' HB2' HE21 ' A' ' 91' ' ' GLN . 11.9 p-10 -106.76 109.79 21.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.843 0.83 . . . . 0.0 108.807 176.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.87 -32.46 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 113.981 -1.463 . . . . 0.0 114.227 -166.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.19 0.0 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.06 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.8 t -128.73 -28.58 2.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.097 0.475 . . . . 0.0 110.54 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.3 mtm -133.55 142.94 45.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.232 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.26 152.83 18.37 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 tp -88.04 143.4 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.348 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 p -135.11 160.13 39.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.907 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HD2' ' A' ' 82' ' ' PHE . 5.4 p-10 -73.2 -12.46 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.428 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.55 67.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.033 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.69 -22.52 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.143 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HD2' ' O ' ' A' ' 79' ' ' ASP . 76.7 m-85 -68.36 -13.13 62.06 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.03 -23.85 48.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.365 0.602 . . . . 0.0 111.125 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -91.05 148.51 22.34 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.539 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -92.65 -27.69 17.14 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.392 0.615 . . . . 0.0 109.784 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 8.3 m-85 -111.5 108.81 18.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.157 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.752 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -115.55 124.99 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 0.0 110.965 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -114.5 109.36 18.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.885 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -111.85 117.67 55.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.124 0.487 . . . . 0.0 110.432 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -101.51 154.52 18.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.529 HE21 ' HB2' ' A' ' 71' ' ' ASP . 15.7 pt20 44.31 60.3 2.87 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.233 0.958 . . . . 0.0 112.359 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.905 HG21 HD22 ' A' ' 120' ' ' LEU . 43.0 t -67.17 -25.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.682 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.949 ' HB3' HD22 ' A' ' 129' ' ' LEU . 8.4 pt-20 -65.9 -10.63 40.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.67 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 58.8 mmtt -112.05 11.5 20.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.589 -175.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.63 142.87 57.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.592 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.24 69.3 2.6 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.285 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.422 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 13.8 t30 59.1 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.422 ' OE2' ' HB3' ' A' ' 97' ' ' ASN . 2.6 mp0 -55.37 -37.5 67.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.24 -28.21 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.922 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.27 -37.31 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.759 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.59 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.149 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.11 -47.41 80.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.08 -45.61 75.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.325 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HA ' HD21 ' A' ' 135' ' ' LEU . 61.0 t80 -55.39 -45.7 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 m -59.45 -37.12 77.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.091 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.36 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.569 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.73 -42.84 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.66 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 10.6 t30 -63.65 -41.63 98.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.31 -39.51 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.8 m-30 -72.21 -55.0 7.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.354 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 111' ' ' ARG . 4.4 mmp_? -68.91 -18.71 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.561 -174.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -67.87 -40.98 83.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.953 -178.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 p -96.01 -33.64 12.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.61 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -89.43 -164.35 1.14 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.989 -0.606 . . . . 0.0 110.628 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.482 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 106.14 121.84 4.88 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.142 173.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.501 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 85.1 m-85 -111.99 112.53 24.23 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.724 HD23 ' HE2' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -130.03 123.93 31.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.308 0.575 . . . . 0.0 110.347 -172.113 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.1 tp -121.33 114.05 20.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.628 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.905 HD22 HG21 ' A' ' 92' ' ' VAL . 97.4 mt -101.31 131.75 47.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.64 -106.41 1.49 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.405 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 71.22 -176.21 0.19 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.843 0.457 . . . . 0.0 110.759 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -114.82 -19.24 11.09 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -118.68 -87.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.515 -0.874 . . . . 0.0 113.059 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.732 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -159.0 152.57 19.07 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 36.9 Cg_endo -66.37 -36.33 27.77 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.444 2.096 . . . . 0.0 113.156 -172.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -91.53 -8.94 46.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.112 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -108.13 -2.71 19.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 93' ' ' GLU . 74.2 mt -63.86 165.96 7.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.46 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.86 81.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.724 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.6 pt -135.16 168.38 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.383 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -92.18 171.27 9.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.233 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.91 -32.85 72.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.796 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 15.1 m-20 -56.87 -38.78 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.731 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 104' ' ' PHE . 16.7 mt -82.1 -40.27 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -57.1 -36.0 70.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.9 p -70.47 -41.07 73.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 26.8 mmt180 -73.89 -24.46 59.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 25.1 mmt -65.7 -18.14 65.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 111.138 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.0 -2.85 32.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.441 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 78.7 m-85 -100.39 11.8 38.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.1 p -122.57 154.08 38.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.0 110.085 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.03 154.02 22.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.65 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.11 116.69 52.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.097 0.475 . . . . 0.0 109.757 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -113.18 118.95 36.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.742 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.314 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.775 0.321 . . . . 0.0 110.742 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 87.6 m-70 -122.36 -169.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.794 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.49 -162.02 20.13 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.468 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 34.9 tt0 -82.71 -64.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.192 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -116.16 106.9 14.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.205 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.7 mt -137.28 137.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.992 0.425 . . . . 0.0 111.393 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' TRP . 68.8 t80 -113.35 130.32 56.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.879 171.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.475 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.5 m -114.61 137.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.136 175.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.403 ' HB3' ' HE2' ' A' ' 40' ' ' TYR . 27.5 p-90 . . . . . 0 C--N 1.321 -0.645 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.9 OUTLIER . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -63.04 -60.02 4.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.315 0.507 . . . . 0.0 111.284 -173.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.02 -24.91 47.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.008 0.433 . . . . 0.0 110.649 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' SER . 5.8 mp -69.98 -44.82 68.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.577 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.98 -36.56 82.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.96 97.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HD1' ' H ' ' A' ' 35' ' ' HIS . 57.2 t90 -59.3 -45.03 92.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.414 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 69' ' ' TYR . 76.0 t -65.69 -48.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.476 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.28 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.79 -38.99 90.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.099 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.75 87.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.809 0.338 . . . . 0.0 110.435 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.62 -49.18 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.378 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.03 -11.43 59.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.172 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.5 -1.97 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.3 8.68 64.16 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.385 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -106.71 161.72 14.41 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 58.4 t30 -89.39 133.77 34.37 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.08 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -148.79 155.78 41.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -177.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.06 138.37 17.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.59 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.7 p90 -108.97 130.38 55.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.65 113.64 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.215 0.531 . . . . 0.0 110.135 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 17.9 m-20 -97.21 110.29 22.87 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.45 -25.19 49.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.25 33.54 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 42.2 t -156.88 -39.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.862 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.5 mtm -137.88 143.95 42.1 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.188 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.39 156.57 14.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.343 2.028 . . . . 0.0 112.392 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -75.21 143.51 43.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.561 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.17 163.63 32.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -174.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.09 -21.3 62.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.023 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.33 -24.8 57.39 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.341 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.79 -25.35 66.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.01 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.66 -18.64 65.48 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.38 -18.45 36.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.184 0.516 . . . . 0.0 111.509 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -82.8 142.83 31.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.136 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -85.59 -35.1 21.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.73 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 10.9 m-85 -110.66 113.37 25.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.116 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.71 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.4 mm? -112.79 126.78 55.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.926 0.393 . . . . 0.0 111.275 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.68 124.23 42.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.04 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.24 114.81 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -91.62 132.12 36.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.75 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.729 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 45.7 mt-30 62.22 41.79 10.17 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.568 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.56 -23.72 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.811 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.597 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 1.2 pt-20 -67.35 -18.32 65.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.775 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.729 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 21.6 mmmt -79.52 -8.86 59.44 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.705 0.288 . . . . 0.0 111.224 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -71.11 141.12 50.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.48 -125.35 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.129 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -96.16 -53.34 3.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.048 0.451 . . . . 0.0 111.022 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.66 -36.34 83.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.687 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 3.1 mp0 -65.16 -42.36 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.72 -18.36 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.754 0.311 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 132' ' ' ARG . . . -76.35 -42.03 46.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.642 173.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.8 -50.43 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.806 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -57.23 -46.06 83.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.768 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.02 -43.96 78.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 m -59.88 -36.23 76.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.943 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 61.9 mt -61.93 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.3 -48.06 81.7 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.6 t30 -59.62 -48.52 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -57.27 -48.56 78.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.952 0.406 . . . . 0.0 110.886 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 118' ' ' LEU . 10.7 m-30 -67.22 -51.06 57.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.667 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.65 -27.8 65.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.106 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -66.57 -40.0 88.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.231 0.539 . . . . 0.0 110.719 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -93.46 -23.58 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.115 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.61 18.39 66.14 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -124.37 174.37 7.79 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -173.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.17 150.33 12.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.478 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 38.8 m-85 -122.4 138.94 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.89 124.47 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 0.0 110.715 -176.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 51.7 tp -121.44 116.39 24.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.47 177.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 118' ' ' LEU . 77.5 mt -114.53 141.54 47.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -148.35 131.74 3.91 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.607 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 54.1 m -153.21 -87.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' SER . 15.1 pt-20 174.39 -171.4 0.05 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.203 0.315 . . . . 0.0 110.598 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 125' ' ' THR . 28.5 m-85 62.38 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.551 0.741 . . . . 0.0 111.556 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.2 OUTLIER 174.4 155.46 0.31 Allowed Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 124.367 1.067 . . . . 0.0 109.055 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.4 Cg_exo -59.19 -24.78 75.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.55 2.167 . . . . 0.0 112.732 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.72 3.39 47.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.071 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -109.28 -29.16 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.201 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 125' ' ' THR . 94.5 mt -56.23 134.82 53.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.539 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -87.89 86.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.176 0.512 . . . . 0.0 110.01 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.2 pt -136.99 176.33 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.953 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 101' ' ' ALA . 15.5 ttp180 -59.82 126.28 26.95 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 136' ' ' ARG . 10.8 pt-20 -62.3 -23.43 66.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.944 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.44 -30.93 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.231 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 135' ' ' LEU . 7.6 tt -83.39 -35.31 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' MET . 11.4 ttt180 -57.84 -37.98 74.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.248 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.6 p -67.01 -29.73 69.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.304 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.535 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 12.5 mmt180 -76.98 -16.94 59.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.033 0.444 . . . . 0.0 110.224 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 17.8 mmt -65.78 -23.6 66.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.623 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.46 -5.16 54.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.866 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 41.9 m-85 -94.06 6.42 48.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 63.7 m -115.48 147.28 40.81 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.909 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.19 155.57 40.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.1 115.81 49.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.51 162.6 24.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.635 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.087 -179.394 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 tttm . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.495 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 14.0 m80 -119.32 -165.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.669 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 39' ' ' ILE . . . -61.0 -173.52 1.06 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.618 0.607 . . . . 0.0 114.618 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 51.7 tt0 -91.71 -45.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.429 -0.385 . . . . 0.0 111.124 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 76.9 m-85 -125.54 89.6 3.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 145' ' ' TYR . 39.4 mm -117.94 129.67 73.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.971 0.415 . . . . 0.0 111.329 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 51.9 t80 -116.99 123.45 46.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.6 m -123.78 102.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.423 0.63 . . . . 0.0 111.049 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.6 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 65.0 p-90 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.911 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 120.783 0.325 . . . . 0.0 111.768 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -55.65 -47.41 76.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.997 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.436 HD11 ' CE1' ' A' ' 35' ' ' HIS . 54.8 tp -75.3 -27.83 59.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.007 0.432 . . . . 0.0 110.634 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 90' ' ' ASP . 24.1 tp -67.21 -42.12 84.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.948 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -72.26 -33.78 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.04 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.32 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.123 0.487 . . . . 0.0 110.871 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.513 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 52.0 t90 -66.31 -34.51 78.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.411 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 69' ' ' TYR . 85.1 t -75.0 -48.98 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.35 85.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.513 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.79 -40.96 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.48 . . . . 0.0 110.025 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.92 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.653 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 81.6 mt -63.68 -47.96 79.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.627 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -77.46 -9.5 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.256 0.55 . . . . 0.0 110.783 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.25 60.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.152 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.446 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . 98.24 17.23 30.06 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.206 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 12.8 mptt -109.96 -176.25 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.085 0.469 . . . . 0.0 111.007 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 33.0 t-20 -101.01 133.26 45.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.158 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -156.48 147.08 21.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.04 17.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.619 ' HB3' HG21 ' A' ' 57' ' ' VAL . 52.0 p90 -115.63 137.71 51.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.455 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 73.2 mt -125.58 122.22 61.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.225 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 5.8 m-20 -88.21 106.45 18.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.43 -18.3 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -173.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.42 19.03 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.733 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 47.0 t -144.67 -36.0 0.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 68.0 mtm -130.69 144.87 55.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.624 -175.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.49 179.38 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.765 2.31 . . . . 0.0 112.59 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 99' ' ' GLU . 58.0 tp -99.51 144.45 28.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -127.1 155.92 42.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.065 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -26.23 67.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.988 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.52 59.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -24.14 60.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.155 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.94 -28.02 30.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.582 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -70.43 139.9 51.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.361 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.01 -25.42 18.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.276 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 35.6 m-85 -112.65 107.48 16.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.241 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.472 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -109.0 120.4 42.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 0.0 111.221 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -121.15 113.64 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.117 177.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.5 t -126.81 126.17 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 53' ' ' LEU . 34.2 t0 -105.96 162.94 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.831 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 61.94 36.77 15.54 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.719 0.637 . . . . 0.0 111.491 172.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.8 p -67.71 119.14 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 8.5 pt-20 172.71 -32.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.461 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 31.3 mmmt -76.03 -9.95 59.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.688 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.32 132.0 48.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -88.92 1.79 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.878 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -131.48 -54.18 1.02 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.601 0.239 . . . . 0.0 111.135 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.43 -43.64 98.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.331 0.586 . . . . 0.0 110.249 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.8 mp0 -63.91 -40.79 97.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.945 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -69.23 -35.12 75.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.79 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.26 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.08 -49.25 70.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.499 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -56.12 -48.2 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.079 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -54.05 -44.15 70.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.728 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -62.61 -34.48 77.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.59 -42.37 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 103' ' ' LEU . 31.5 m-85 -61.45 -41.13 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 12.2 t30 -64.86 -28.94 69.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.731 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 109' ' ' ARG . 14.9 ttt180 -75.48 -57.3 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.472 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 12.6 m-30 -62.38 -52.15 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.732 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.573 ' HG3' HH11 ' A' ' 111' ' ' ARG . 14.9 mmt85 -71.22 -17.71 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.663 -174.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.689 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.7 t-20 -60.06 -60.63 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.199 0.523 . . . . 0.0 110.711 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.7 t -97.6 -28.1 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.837 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.41 21.53 9.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.773 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 37.3 ttpt -107.12 173.37 6.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 89.94 147.63 17.61 Favored Glycine 0 C--N 1.313 -0.725 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.163 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 38.1 m-85 -121.65 137.78 54.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.6 tp -138.22 140.51 39.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.36 0.6 . . . . 0.0 110.543 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.496 HD13 ' HB ' ' A' ' 39' ' ' ILE . 50.0 tp -143.95 114.8 7.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.579 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 80.4 mt -121.81 145.53 47.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.25 169.74 23.24 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.204 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.1 m 75.2 176.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.665 0.786 . . . . 0.0 112.131 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 13.9 mm-40 64.66 -164.01 0.25 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.926 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -107.75 -164.26 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.477 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.5 p -67.95 153.69 94.87 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.38 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 129' ' ' LEU . 36.2 Cg_exo -59.43 -22.65 66.97 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.989 2.46 . . . . 0.0 112.333 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.42 -25.73 65.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.207 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.43 1.73 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.754 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 126' ' ' PRO . 61.2 mt -73.58 133.79 43.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.876 0.37 . . . . 0.0 111.135 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.12 91.12 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.39 0.614 . . . . 0.0 110.156 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HD22 ' A' ' 135' ' ' LEU . 21.0 pt -143.16 -174.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.168 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.617 ' HD2' ' OD2' ' A' ' 134' ' ' ASP . 4.7 tpp85 -54.38 123.16 12.11 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 171.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.84 -20.75 64.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.111 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.617 ' OD2' ' HD2' ' A' ' 132' ' ' ARG . 10.0 m-20 -69.24 -35.13 75.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 103' ' ' LEU . 6.3 tt -82.35 -35.67 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.949 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -55.4 -38.23 68.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.065 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 3.1 p -70.6 -35.19 72.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.908 0.385 . . . . 0.0 111.16 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -68.92 -18.28 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.169 0.509 . . . . 0.0 110.537 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 87.0 mmm -77.65 -18.61 56.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.408 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.68 -0.24 54.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.985 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.517 ' HB2' ' NH1' ' A' ' 111' ' ' ARG . 85.4 m-85 -92.7 -2.93 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.15 173.93 6.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 110.966 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.83 153.87 21.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.112 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -129.61 118.58 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.269 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' A' ' 39' ' ' ILE . 18.6 m-85 -103.16 120.07 40.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.649 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.321 -0.652 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HB2' ' CD1' ' A' ' 56' ' ' TRP . 19.3 pttm . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -152.88 115.12 4.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.34 -169.22 54.81 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.378 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.605 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.9 mt-30 -110.04 -58.97 1.99 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.047 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' CD2' ' A' ' 110' ' ' PHE . 75.2 m-85 -104.86 93.04 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 42.9 mm -119.21 126.15 75.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.998 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -109.11 124.22 50.45 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.63 135.6 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 0.0 111.464 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 4.4 p-90 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.6 ' HA ' HD13 ' A' ' 53' ' ' LEU . 6.9 m . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -61.19 -36.34 79.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.439 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 pp -74.0 -26.66 60.56 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.637 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.9 mp -66.66 -39.83 88.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.187 0.518 . . . . 0.0 109.739 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.53 -45.43 94.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.501 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.28 98.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.384 0.611 . . . . 0.0 111.13 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 72.8 t90 -60.1 -39.35 85.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.528 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 69' ' ' TYR . 73.2 t -72.91 -45.76 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.029 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.2 91.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.227 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 61.0 tp60 -57.89 -44.97 87.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.196 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' CD2' ' A' ' 86' ' ' TYR . . . -63.83 -41.25 97.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.27 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.1 mt -58.85 -42.6 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.055 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.83 -27.35 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.207 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.067 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.45 23.95 41.54 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.16 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -121.28 158.54 27.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 50.8 t30 -83.71 134.27 34.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -174.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.1 144.93 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.286 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.07 36.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.999 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 57' ' ' VAL . 89.6 t80 -104.98 107.74 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.27 125.56 73.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.178 0.514 . . . . 0.0 111.636 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.58 100.0 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -60.17 -21.55 61.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -171.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HB2' ' HG3' ' A' ' 94' ' ' LYS . . . -88.17 -2.8 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -132.66 -23.73 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 111.158 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mtm -132.11 143.74 50.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -82.06 152.85 16.56 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.34 2.027 . . . . 0.0 113.273 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.5 tp -82.17 143.63 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.09 158.87 43.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -177.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -63.91 -16.24 60.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.04 0.448 . . . . 0.0 110.623 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.33 -24.37 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.311 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.1 -23.8 49.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.227 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.38 -12.78 61.64 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.19 -22.87 51.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.282 0.563 . . . . 0.0 110.775 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -94.15 139.45 30.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.203 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -82.09 -33.19 29.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.154 174.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 9.7 m-85 -106.32 115.99 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.678 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.628 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -113.22 116.95 30.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.91 117.49 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.61 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.08 123.87 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.34 141.86 34.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.8 mt-30 68.12 60.08 0.42 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 110.89 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 120' ' ' LEU . 41.3 t -70.26 -22.94 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.684 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.66 -15.14 57.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.088 0.471 . . . . 0.0 111.12 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 29.7 mmmt -82.91 -1.0 51.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.4 144.03 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.412 . . . . 0.0 111.105 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.63 -76.01 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.455 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -157.29 -51.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.386 -0.479 . . . . 0.0 111.458 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.73 -34.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 109.803 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.1 -35.34 80.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.512 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -68.46 -38.55 81.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.57 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.329 0.585 . . . . 0.0 110.177 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.69 -51.6 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.444 177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -57.22 -44.67 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -52.65 -45.37 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.104 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -66.16 -33.92 76.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.083 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 103' ' ' LEU . 69.2 mt -61.84 -44.42 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.608 ' HZ ' ' HE3' ' A' ' 139' ' ' MET . 11.0 m-85 -58.95 -42.99 91.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.659 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 50.3 t30 -57.94 -48.22 80.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.136 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.58 -44.27 80.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.628 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.4 m-30 -61.57 -56.5 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 111.264 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -75.72 -18.43 59.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.159 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.659 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.3 t-20 -70.23 -49.69 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 0.0 110.359 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.3 m -84.39 -30.96 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.354 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 98.24 29.28 7.62 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -132.86 -164.15 1.44 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 114.573 -0.814 . . . . 0.0 109.745 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.434 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 101.45 127.42 6.09 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.195 -1.002 . . . . 0.0 113.682 173.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.605 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 57.7 m-85 -118.73 126.36 51.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 24.4 tp -133.16 141.13 47.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.144 0.497 . . . . 0.0 110.953 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.569 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 55.2 tp -145.32 103.09 3.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.328 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 92' ' ' VAL . 89.5 mt -115.84 143.94 44.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.643 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.65 132.25 6.39 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.6 t -151.94 36.74 0.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.977 0.389 . . . . 0.0 110.459 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 53.85 -48.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.042 1.737 . . . . 0.0 115.075 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.8 -179.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 118.31 0.504 . . . . 0.0 110.357 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -89.15 161.19 41.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.115 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.422 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.0 Cg_exo -60.36 -27.5 84.98 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.884 2.389 . . . . 0.0 112.545 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -94.29 4.56 53.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -106.39 -29.17 9.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 146.29 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.35 80.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.391 0.615 . . . . 0.0 109.801 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.3 pt -115.52 -176.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.523 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -67.16 131.92 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 136' ' ' ARG . 14.9 tt0 -62.22 -20.45 64.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -173.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.35 -41.61 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.253 0.549 . . . . 0.0 110.417 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.05 -32.48 39.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.538 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HB3' ' HA ' ' A' ' 133' ' ' GLU . 66.0 ttt-85 -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.48 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 t -67.91 -28.15 67.25 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.957 0.408 . . . . 0.0 110.758 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 22.1 mmt180 -73.76 -28.86 61.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.384 176.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.608 ' HE3' ' HZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -61.98 -20.89 64.35 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.735 -178.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.96 -3.83 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.64 2.15 51.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.03 150.72 38.82 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.699 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.04 154.62 28.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.581 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.15 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.022 0.439 . . . . 0.0 110.291 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -117.04 126.91 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.841 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HA ' ' HD1' ' A' ' 56' ' ' TRP . 17.2 ptpt . . . . . 0 N--CA 1.457 -0.079 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.56 -35.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.432 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -159.95 25.79 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.325 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 59.7 tt0 -98.89 -48.55 4.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.773 0.321 . . . . 0.0 110.657 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -123.42 92.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 HG22 HG13 ' A' ' 41' ' ' VAL . 50.4 mm -121.83 124.9 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.168 0.508 . . . . 0.0 111.32 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 41.8 t80 -108.04 115.03 29.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.031 172.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 145' ' ' TYR . 3.0 m -123.88 102.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.345 0.593 . . . . 0.0 110.499 -178.831 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 121.224 0.535 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -68.89 -53.7 19.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.889 -173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.6 -26.84 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.874 0.369 . . . . 0.0 110.485 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 119' ' ' LEU . 36.9 tp -66.99 -51.38 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -66.44 -33.94 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 110.571 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.24 -30.38 68.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.701 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.638 ' HD1' ' HA ' ' A' ' 34' ' ' LYS . 70.8 t90 -79.97 -41.62 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.427 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 69' ' ' TYR . 46.3 t -59.87 -51.53 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.107 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -64.35 -30.15 71.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.974 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -40.75 96.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.17 61.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.2 mt -63.85 -49.11 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.168 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.78 -12.72 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.075 0.464 . . . . 0.0 111.089 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.521 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.18 60.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.292 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -95.82 179.53 5.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -105.53 133.26 50.57 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.15 141.85 27.89 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.544 -176.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.83 129.88 30.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.605 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' HG21 ' A' ' 57' ' ' VAL . 45.7 p90 -109.97 128.25 55.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.68 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.8 mt -125.79 127.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.193 0.52 . . . . 0.0 111.108 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 10.1 t70 -101.48 106.31 17.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.42 63.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.1 11.67 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.354 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -135.07 -37.87 0.79 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.3 0.572 . . . . 0.0 110.219 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.5 mtm -138.61 143.95 40.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.478 -176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.88 160.84 18.63 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.323 2.015 . . . . 0.0 111.66 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 102' ' ' LEU . 47.9 tp -73.41 142.8 46.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 p -130.14 160.25 34.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.37 0.605 . . . . 0.0 111.889 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.58 -22.62 66.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.303 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.0 65.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.494 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.27 -18.16 47.25 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.426 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 45.1 m-85 -75.67 -13.72 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.609 0.242 . . . . 0.0 111.547 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.65 -23.87 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.663 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.21 141.16 31.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -86.03 -37.29 19.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.417 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 9.1 m-85 -107.65 114.11 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.052 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.775 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -110.54 133.81 52.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.467 . . . . 0.0 111.273 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.4 113.44 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.7 t -111.02 127.51 68.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 19.0 t70 -106.77 126.08 51.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.724 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 43.6 mt-30 72.67 109.49 0.07 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.051 0.844 . . . . 0.0 111.562 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.1 -28.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.192 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.01 -26.64 68.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 22.7 mmmt -81.52 -8.6 59.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.889 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -74.36 134.56 42.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.39 -118.28 0.9 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.113 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -106.15 -55.18 2.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.832 0.316 . . . . 0.0 110.964 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.47 -42.55 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.799 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.498 ' HB3' HD22 ' A' ' 95' ' ' LEU . 2.0 mp0 -59.8 -42.46 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.145 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.65 -36.95 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.901 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.43 83.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.49 -49.03 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.327 177.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HD11 ' A' ' 135' ' ' LEU . 0.6 OUTLIER -56.52 -44.92 81.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.17 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.3 -44.51 68.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.878 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.426 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 2.5 t -68.32 -32.42 72.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.261 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 103' ' ' LEU . 72.4 mt -62.87 -45.56 98.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.34 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -59.93 -40.14 87.89 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.576 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.628 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 8.4 t30 -58.82 -47.79 83.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.758 177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 109' ' ' ARG . 13.4 ttp180 -60.24 -46.72 88.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.674 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.775 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -65.85 -50.02 66.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.562 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 111' ' ' ARG . 4.2 tpm_? -68.73 -35.28 76.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.731 0.3 . . . . 0.0 111.218 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.628 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 t-20 -71.64 -41.23 69.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.121 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.5 m -85.69 -22.38 27.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.63 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 19.07 79.1 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -134.84 174.61 10.39 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 93.02 152.33 29.06 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 67.9 m-85 -125.79 140.44 52.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.775 0.322 . . . . 0.0 110.629 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.7 tp -139.35 139.47 37.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.323 0.582 . . . . 0.0 110.396 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 53' ' ' LEU . 53.2 tp -134.52 123.64 24.24 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.221 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.1 mt -123.1 113.27 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.36 -54.1 2.92 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.5 m 65.53 -159.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.903 -0.649 . . . . 0.0 111.969 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -122.84 -32.49 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.124 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 85.2 m-85 -133.87 -87.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -163.34 153.87 13.73 Favored Pre-proline 0 N--CA 1.466 0.364 0 C-N-CA 122.297 0.239 . . . . 0.0 110.385 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.577 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 14.7 Cg_exo -67.67 -29.52 36.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.678 2.252 . . . . 0.0 112.632 -174.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.74 -15.98 27.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.681 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -102.76 -23.11 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.362 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 125' ' ' THR . 61.0 mt -60.61 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.015 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.8 77.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.72 0.771 . . . . 0.0 109.517 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.7 pt -119.22 -173.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.444 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -61.69 133.42 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.239 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.23 -24.77 60.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.499 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -73.14 -34.22 65.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 103' ' ' LEU . 41.7 tp -83.02 -47.42 11.73 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -61.12 -23.32 65.43 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 p -75.66 -28.55 58.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.949 0.404 . . . . 0.0 110.973 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -77.74 -16.55 58.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.419 0.628 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 25.8 mmt -67.77 -18.73 64.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.692 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.54 -12.57 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.897 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -81.5 -1.14 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.958 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.71 151.78 25.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.33 154.55 27.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.591 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.86 123.55 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.85 0.357 . . . . 0.0 110.631 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.5 ' HB2' HG12 ' A' ' 41' ' ' VAL . 97.9 m-85 -126.36 136.22 52.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.716 175.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.236 0.364 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.369 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG2' ' CD ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -136.67 178.75 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 -170.48 4.67 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 123.444 0.465 . . . . 0.0 114.241 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 49.3 mt-30 -66.91 -85.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.618 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 97.2 m-85 -85.8 99.97 11.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.447 -175.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 145' ' ' TYR . 45.8 mm -129.29 128.43 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -174.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.67 129.39 56.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.424 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 145' ' ' TYR . 30.4 m -121.81 145.4 28.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.647 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.7 m0 . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.084 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -54.88 -33.11 61.6 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -172.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 tp -76.11 -45.42 33.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.002 0.43 . . . . 0.0 110.961 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.4 mp -73.45 -35.78 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.542 -175.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.98 89.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 49.8 t90 -74.19 -34.86 63.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.768 -175.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 69' ' ' TYR . 44.2 t -72.16 -44.87 64.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.203 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.03 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.614 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.95 -29.25 66.33 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.853 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.01 73.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 110.132 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.0 -44.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.681 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.16 -14.65 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.918 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.47 1.4 48.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.974 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.81 29.74 57.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.747 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -123.06 155.33 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 29.8 t-20 -80.82 133.67 35.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -154.95 142.86 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.31 138.14 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.607 ' HB3' HG21 ' A' ' 57' ' ' VAL . 13.1 p90 -114.26 132.04 56.28 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -128.37 120.14 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.09 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 74' ' ' SER . 10.1 p-10 -98.82 113.32 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -69.18 6.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.472 -173.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.92 -18.14 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 33.8 t -134.06 -15.6 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.276 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.516 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 71.6 mtm -138.51 144.02 40.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.578 0.227 . . . . 0.0 110.765 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 23.2 Cg_endo -90.82 158.25 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.081 2.521 . . . . 0.0 112.139 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 102' ' ' LEU . 41.7 tp -79.25 144.03 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -130.01 166.63 19.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.936 0.398 . . . . 0.0 111.164 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -73.96 -17.97 60.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -25.24 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.486 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.94 -25.71 58.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.252 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -69.93 -12.73 61.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.8 -25.63 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 111.023 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -86.12 151.97 23.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.686 -172.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -90.71 -35.83 14.68 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 14.6 m-85 -107.91 113.73 27.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.587 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -118.67 121.94 41.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.74 119.8 33.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.417 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.0 t -111.04 114.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.163 0.506 . . . . 0.0 110.177 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -93.25 131.44 38.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.112 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' A' ' 122' ' ' SER . 1.9 mp0 61.85 78.51 0.29 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.728 0.411 . . . . 0.0 111.045 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.485 HG12 ' OG ' ' A' ' 122' ' ' SER . 14.5 p -79.1 -19.16 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 109.796 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.635 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 7.9 pt-20 -61.04 -19.22 61.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.379 176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.635 ' HD3' ' HG3' ' A' ' 93' ' ' GLU . 7.8 mptt -93.92 7.75 43.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -174.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 99' ' ' GLU . 77.1 mt -86.61 134.5 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.55 -87.63 1.68 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.292 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -105.88 -81.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.694 -172.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.13 -34.15 77.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.961 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.0 mp0 -65.8 -41.1 92.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.757 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 131' ' ' ILE . 22.7 tt0 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.13 -178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.86 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -67.0 -48.4 68.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.433 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 1.4 tm? -55.11 -45.88 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.45 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.74 -43.05 85.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.852 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.3 t -61.56 -38.14 86.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.353 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 102' ' ' LEU . 66.2 mt -59.26 -47.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.652 176.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -56.6 -45.39 81.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.788 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.7 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.9 t30 -60.59 -51.2 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.36 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -53.73 -45.91 70.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.545 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.587 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -73.59 -54.99 6.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.943 -176.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -65.49 -25.02 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.334 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.7 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.8 t-20 -75.2 -28.16 59.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 0.0 110.634 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 t -95.3 -43.76 7.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 -29.49 5.69 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -82.65 -165.05 0.95 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.979 -0.61 . . . . 0.0 110.601 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 96.87 128.76 5.96 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 56.6 m-85 -114.01 115.94 28.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -122.42 131.99 54.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.419 . . . . 0.0 110.225 -173.257 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 62.9 tp -134.34 120.95 20.53 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.714 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 98.9 mt -118.79 138.34 52.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -149.93 114.32 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.264 -0.97 . . . . 0.0 113.16 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.813 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 11.4 p 179.6 -171.15 0.15 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.264 0.625 . . . . 0.0 109.88 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 44.12 -163.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.335 1.022 . . . . 0.0 112.996 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -107.34 -33.52 7.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.53 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 1.1 p -158.34 155.33 25.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 129' ' ' LEU . 36.2 Cg_endo -66.46 -15.32 47.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -67.93 -21.44 65.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.501 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 125' ' ' THR . 3.2 pt20 -106.87 8.21 30.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 92' ' ' VAL . 10.4 mt -71.61 137.32 47.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 29.5 t -95.44 77.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.188 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 31.8 pt -132.34 156.55 42.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.272 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 132' ' ' ARG . 2.5 tpm_? -62.92 145.27 55.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 24.3 mp0 -61.61 -28.02 69.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 -175.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 19.0 m-20 -70.62 -22.75 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.968 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 139' ' ' MET . 7.2 tt -82.35 -33.61 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -65.43 -33.95 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.722 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.0 p -69.06 -34.84 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.666 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 18.9 mmt180 -69.2 -27.84 65.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.8 mmm -64.82 -21.67 66.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.088 0.471 . . . . 0.0 111.138 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.72 -6.27 51.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.522 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 74.6 m-85 -92.6 8.56 38.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.422 . . . . 0.0 110.12 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 59.2 m -117.6 167.29 11.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.509 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.41 154.29 18.93 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 115.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.991 0.424 . . . . 0.0 110.206 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 39' ' ' ILE . 2.8 m-85 -99.68 118.3 35.89 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 C--N 1.317 -0.836 0 CA-C-O 121.333 0.587 . . . . 0.0 110.656 -179.114 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.435 0.16 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -166.43 123.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.983 0.513 . . . . 0.0 110.065 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.45 174.76 13.77 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.305 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -126.44 -38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.611 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -133.31 81.52 1.94 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.963 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.6 mt -131.47 133.32 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.502 0.668 . . . . 0.0 111.822 -174.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -108.42 121.67 45.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.139 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 26.5 m -112.55 143.51 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.015 0.436 . . . . 0.0 110.511 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 122' ' ' SER . 13.5 p-90 . . . . . 0 C--N 1.319 -0.729 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.181 0.515 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -68.82 -51.31 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.861 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.57 -26.49 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.34 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -43.83 91.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.233 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.37 -37.06 82.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.507 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.68 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.5 . . . . 0.0 110.304 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 46.0 t90 -65.96 -41.89 90.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.529 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 69' ' ' TYR . 77.4 t -67.21 -46.0 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.073 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.98 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.929 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -34.55 78.24 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.397 -177.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.72 77.82 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.918 0.39 . . . . 0.0 110.203 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 63.6 mt -60.01 -48.01 83.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.982 177.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.61 -16.31 62.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.12 0.91 50.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.755 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.68 9.18 81.71 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.263 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -99.14 159.94 14.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.566 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 18.4 t-20 -90.58 133.58 34.99 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -154.17 145.84 23.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 -176.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.65 139.47 21.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.864 0.364 . . . . 0.0 111.271 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.6 p90 -109.32 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.71 125.77 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.39 -173.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.06 109.76 22.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.27 60.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -172.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.82 -41.0 13.56 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -98.39 -27.38 14.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -125.7 144.56 48.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -82.49 153.63 15.81 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.563 2.176 . . . . 0.0 111.942 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 102' ' ' LEU . 27.7 tp -81.92 143.57 31.56 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 165.45 27.19 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.97 -172.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -66.24 -21.22 66.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.351 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.27 -25.12 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.735 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.87 -20.12 64.82 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.093 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -75.46 -14.51 60.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.92 -24.29 35.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.554 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.566 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -84.4 145.04 28.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.701 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -92.17 -33.2 14.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.306 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.428 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.7 m-85 -108.05 109.56 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.984 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.73 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.6 mm? -110.37 123.78 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 0.0 111.352 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.26 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.845 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.39 118.41 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -102.46 136.08 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.834 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 45.0 mt-30 64.08 61.69 0.91 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.713 0.633 . . . . 0.0 111.486 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.36 -30.24 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.781 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 129' ' ' LEU . 11.0 pt-20 -66.95 -19.17 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.623 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -94.8 12.74 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.909 -175.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -67.17 153.3 44.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 176.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.39 -81.48 1.6 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.911 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -150.48 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.176 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.37 -35.48 73.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.706 0.765 . . . . 0.0 109.775 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 99' ' ' GLU . 25.8 mp0 -62.04 -33.95 75.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.384 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.8 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.375 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.536 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.11 -47.8 72.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -55.5 -47.25 76.51 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.6 178.429 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.35 -41.16 84.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.3 m -62.95 -32.9 74.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.888 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.528 HD12 HD22 ' A' ' 103' ' ' LEU . 70.5 mt -63.11 -47.24 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.373 175.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -58.42 -44.28 89.0 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.982 0.42 . . . . 0.0 110.358 174.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 55.6 t30 -56.54 -44.33 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.757 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -62.0 -54.24 44.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.73 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 21.5 m-30 -66.58 -40.88 89.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.552 -174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -66.04 -40.16 90.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.794 0.33 . . . . 0.0 110.724 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.648 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 m-20 -75.12 -38.8 60.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.697 -176.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 t -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 0.0 111.378 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.77 -25.03 26.92 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 116' ' ' GLY . 64.8 tttp -90.73 172.53 8.58 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 115' ' ' LYS . . . 94.48 151.57 28.4 Favored Glycine 0 C--N 1.313 -0.699 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.973 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.403 ' HB3' ' HZ2' ' A' ' 56' ' ' TRP . 58.3 m-85 -128.18 136.04 50.56 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.447 HD13 ' HE2' ' A' ' 110' ' ' PHE . 21.8 tp -129.09 136.42 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.443 0.639 . . . . 0.0 110.732 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.6 tp -131.35 111.9 12.26 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.765 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.82 132.95 52.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.599 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -127.41 148.39 17.47 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.743 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -164.36 175.2 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -99.63 -24.39 14.75 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.539 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -109.4 -173.43 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.607 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 p -95.44 153.67 39.5 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.5 Cg_exo -58.8 -31.05 94.41 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.33 2.687 . . . . 0.0 114.107 -171.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.1 -6.6 59.0 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -128.24 13.61 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.725 0.298 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 93' ' ' GLU . 78.7 mt -70.96 154.88 41.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.303 175.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.67 80.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.19 0.519 . . . . 0.0 110.121 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -139.22 161.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.596 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -80.52 168.6 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 111.333 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 17.0 mp0 -56.18 -56.73 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.034 -168.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.12 -39.82 83.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.469 HD11 HD12 ' A' ' 103' ' ' LEU . 40.2 tp -71.4 -35.1 70.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.114 0.483 . . . . 0.0 110.127 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -61.59 -40.26 94.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.381 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.0 p -72.4 -37.3 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.893 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 9.6 mmt180 -63.36 -33.95 76.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.841 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.249 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.59 -12.17 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.756 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 26.2 m-85 -80.91 -16.02 54.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.468 . . . . 0.0 110.383 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.7 t -90.24 144.14 26.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.482 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.45 156.22 35.33 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.65 116.54 48.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.683 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 83.6 m-85 -131.22 155.71 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.497 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . 0.442 ' HB3' ' NE1' ' A' ' 42' ' ' TRP . 3.6 pt-20 . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.199 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.639 0.257 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -126.09 139.0 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.527 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.15 -136.6 48.27 Favored Glycine 0 N--CA 1.454 -0.119 0 O-C-N 123.61 0.569 . . . . 0.0 113.193 173.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 1.2 pt20 -134.51 -85.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.284 0.042 . . . . 0.0 110.928 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 117' ' ' PHE . 98.7 m-85 -73.29 99.38 2.88 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 177.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mm -111.09 122.08 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.636 0.731 . . . . 0.0 110.989 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.721 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 58.2 t80 -125.42 130.34 51.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.322 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.16 117.5 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.024 0.44 . . . . 0.0 110.851 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CD2' HG22 ' A' ' 125' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 121.658 0.742 . . . . 0.0 110.927 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 121.497 0.665 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -61.52 -34.69 75.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.171 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.38 -30.45 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.42 HD12 HD23 ' A' ' 119' ' ' LEU . 14.4 tp -64.63 -42.71 95.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.38 -37.2 71.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.578 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 59' ' ' GLN . . . -59.27 -45.51 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.076 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.6 t90 -58.34 -38.97 78.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.277 -177.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 69' ' ' TYR . 59.2 t -63.1 -46.28 96.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.59 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ALA . 14.1 mm100 -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.119 0.485 . . . . 0.0 110.412 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.69 80.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 82.8 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.53 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.18 -28.58 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.321 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.19 -6.2 50.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.36 26.55 63.39 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.262 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -115.28 158.57 22.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 44.0 t30 -82.48 133.4 35.2 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.235 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.7 129.41 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.597 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.18 138.44 46.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.458 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.9 p90 -117.28 133.78 55.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 77' ' ' LEU . 73.4 mt -127.39 114.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.845 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.935 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 15.4 p-10 -94.13 102.03 14.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.795 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.78 61.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.547 -169.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.75 25.24 7.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.072 0.463 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 28.0 t -158.26 -36.51 0.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 48.1 mtm -126.05 145.23 51.46 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.387 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.19 153.72 41.1 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.214 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 70' ' ' ILE . 36.5 tp -76.15 144.18 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -131.54 153.93 49.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.383 . . . . 0.0 111.144 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.66 -15.45 60.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.892 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.14 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.338 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 87' ' ' LEU . . . -53.27 -24.25 11.04 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -66.96 -13.55 61.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -22.48 63.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.085 0.469 . . . . 0.0 111.111 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -102.13 149.15 24.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.477 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -88.3 -31.66 18.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.581 0.705 . . . . 0.0 109.425 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -99.32 106.77 18.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.609 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.0 mm? -111.98 130.63 55.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.84 26.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.6 125.52 59.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.935 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.2 t70 -100.11 120.36 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.747 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 61.67 94.74 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.774 0.797 . . . . 0.0 111.606 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.07 -25.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.738 -169.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -19.82 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.42 4.6 26.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -173.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.0 145.33 30.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.28 -82.99 0.73 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.77 -54.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.98 -36.57 79.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.91 -29.01 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.334 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -71.73 -35.81 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.055 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.69 77.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 0.0 110.052 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.7 tm? -64.84 -49.55 70.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.009 175.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.87 -45.03 82.76 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.348 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.481 ' HB2' HD13 ' A' ' 135' ' ' LEU . 86.5 t80 -52.0 -47.65 64.83 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.888 175.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -62.77 -35.7 80.69 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.379 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.4 mt -59.53 -49.95 81.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.4 -45.11 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.941 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 66.9 t30 -64.61 -46.2 83.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.766 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -55.68 -48.45 75.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 118' ' ' LEU . 17.2 m-30 -62.24 -44.11 97.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -65.57 -33.45 75.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -70.04 -43.45 71.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 -36.26 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.85 -9.97 58.59 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -137.94 172.96 12.16 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.6 150.16 7.93 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -171.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 24.3 m-85 -116.7 -76.41 0.57 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.354 -174.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 40.0 tp 70.96 142.12 0.05 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.872 0.844 . . . . 0.0 111.406 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 53' ' ' LEU . 66.8 tp -140.67 127.88 21.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.632 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.71 117.46 28.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.968 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.84 70.99 2.82 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -76.87 140.54 40.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.223 0.535 . . . . 0.0 111.611 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -91.15 -14.38 31.23 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.799 -179.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -134.23 167.73 20.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 110.82 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 42' ' ' TRP . 22.5 p -76.83 160.27 77.02 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.594 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.07 -17.29 24.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.139 1.892 . . . . 0.0 111.257 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.84 -34.47 69.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.67 -4.66 22.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 125' ' ' THR . 85.0 mt -81.48 132.41 35.32 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.625 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.39 84.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.379 0.609 . . . . 0.0 110.026 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.21 176.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.214 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -73.32 148.94 43.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.56 -27.08 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.79 -176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.28 -41.36 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 104' ' ' PHE . 62.1 tp -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.269 0.557 . . . . 0.0 109.851 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.359 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.4 m -66.94 -39.48 87.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.492 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 16.9 mmt180 -69.22 -14.06 62.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.713 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.55 -18.46 63.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.149 0.499 . . . . 0.0 110.781 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.97 3.79 40.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 23.2 m-85 -93.97 9.58 36.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.323 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.7 p -132.68 158.77 41.47 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.869 0.366 . . . . 0.0 110.699 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.67 154.18 21.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.799 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.721 ' HA ' ' O ' ' A' ' 40' ' ' TYR . 44.4 t -133.92 128.87 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.7 139.68 34.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.868 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 0.0 110.081 -177.867 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' HE1' ' A' ' 56' ' ' TRP . 37.1 ttpt . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.7 m80 66.04 69.33 0.44 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.01 -167.93 24.18 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.535 -0.84 . . . . 0.0 113.27 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.28 -53.48 0.96 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.087 0.47 . . . . 0.0 109.788 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 143' ' ' LEU . 67.6 m-85 -106.54 107.45 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 41' ' ' VAL . 69.3 mt -129.57 120.92 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 38.5 t80 -105.47 120.45 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 170.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.5 m -118.55 128.77 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 . . . . . 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.05 178.413 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 3.3 m . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.747 0.308 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -61.43 -38.05 85.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 110.778 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.49 -51.27 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.806 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 6.7 mp -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.118 -171.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.67 -42.04 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.804 0.335 . . . . 0.0 110.705 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.27 -39.89 89.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 34.3 t90 -61.18 -42.95 99.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.783 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.5 t -67.55 -46.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.761 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.62 76.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.567 0.222 . . . . 0.0 111.249 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -68.27 -38.77 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.103 0.477 . . . . 0.0 110.589 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 65.7 mt -59.01 -48.85 80.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.62 -13.05 60.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 111.391 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.82 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.675 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.29 69.56 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.144 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -112.38 153.98 26.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.7 132.43 38.16 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.96 136.09 22.51 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.088 -173.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.45 17.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.632 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.6 p90 -111.69 125.95 54.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.8 mt -121.22 118.04 54.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.107 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 5.4 p-10 -89.0 120.76 30.7 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -73.74 -2.35 22.97 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.188 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.34 -42.8 16.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.542 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -115.34 -18.4 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.118 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 60.0 mtm -122.1 145.76 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 111.553 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.84 164.05 8.98 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.758 2.306 . . . . 0.0 111.662 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 106' ' ' ILE . 36.1 tp -88.83 144.21 26.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.945 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.6 p -123.38 157.25 33.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 110.69 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.54 -14.76 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.442 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -24.62 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.969 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.77 -19.77 60.01 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.12 -21.99 64.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.861 0.363 . . . . 0.0 111.158 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.84 -25.02 26.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.215 0.531 . . . . 0.0 110.756 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 110.69 19.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.829 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.02 -30.39 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 22.2 m-85 -97.87 93.04 6.12 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 42.3 tp -113.06 134.11 54.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.216 0.531 . . . . 0.0 110.57 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -125.18 126.8 45.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.956 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 58.9 t -120.85 117.28 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.912 0.387 . . . . 0.0 109.99 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 53' ' ' LEU . 12.2 t70 -101.09 130.42 47.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.26 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 40.3 mt-30 57.4 55.75 5.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.189 0.518 . . . . 0.0 111.061 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -56.96 -24.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.275 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.581 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 56.4 mmtt -85.93 -9.98 55.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.879 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 91.0 mt -61.89 139.36 58.38 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.734 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.53 -77.14 0.25 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.222 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.59 -59.89 0.13 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.32 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.9 mp0 -67.15 -32.09 72.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.49 -38.53 84.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.132 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.33 75.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.278 0.561 . . . . 0.0 110.487 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 39.7 tp -67.1 -47.75 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.135 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 135' ' ' LEU . 3.1 tm? -57.9 -44.19 86.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.728 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -52.63 -46.0 66.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -64.9 -41.19 95.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.498 HD12 HD21 ' A' ' 77' ' ' LEU . 70.3 mt -65.4 -44.92 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 178.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -40.71 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.245 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.682 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 59.5 t30 -59.55 -52.24 66.4 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.918 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.479 ' C ' ' HD3' ' A' ' 109' ' ' ARG . 1.1 tmt_? -55.22 -47.2 75.66 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.473 0.483 . . . . 0.0 111.006 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 3.8 m-30 -59.01 -54.59 45.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.459 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 38.6 tpt85 -72.23 -28.71 63.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.986 -176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -64.52 -44.51 90.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.272 178.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.6 t -78.43 -35.5 46.8 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.251 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.73 -28.52 13.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.622 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 79.6 tttt -104.86 171.89 7.08 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 120.21 122.27 2.97 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 69.7 m-85 -98.13 116.82 31.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 87' ' ' LEU . 17.1 tp -125.17 131.55 53.2 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.268 0.556 . . . . 0.0 110.242 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 53' ' ' LEU . 46.6 tp -123.74 109.65 13.95 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.334 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 80.5 mt -108.19 117.74 34.93 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.72 147.59 18.03 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.381 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.2 t -167.07 162.86 15.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.965 0.412 . . . . 0.0 110.119 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 2.3 pm0 -85.01 -21.44 29.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.329 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.406 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 80.7 m-85 -107.9 178.01 4.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.941 0.4 . . . . 0.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 19.2 p -101.03 153.86 37.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.757 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.686 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 58.5 Cg_endo -71.89 -15.02 29.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.754 2.302 . . . . 0.0 111.831 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -75.82 -13.76 60.29 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.865 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -145.62 23.61 1.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.303 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 125' ' ' THR . 59.7 mt -67.86 133.99 50.11 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.39 76.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.1 pt -139.93 -173.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.377 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.24 128.35 36.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.21 -20.42 63.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.096 0.474 . . . . 0.0 109.992 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 9.0 m-20 -58.72 -33.19 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.953 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' A' ' 139' ' ' MET . 19.5 mt -81.26 -43.36 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.89 176.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.88 -42.27 62.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.379 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -66.99 -32.78 74.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.767 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 14.7 mmt180 -75.89 -24.15 55.62 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.324 . . . . 0.0 110.788 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 26.5 mmt -65.85 -18.73 65.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.717 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.53 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.215 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 89.6 m-85 -97.44 10.56 39.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.443 0.64 . . . . 0.0 109.773 176.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.67 152.56 43.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.977 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 11.5 mt -76.84 161.33 28.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.376 0.607 . . . . 0.0 111.52 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.92 116.75 38.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.471 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.544 ' HB2' HG12 ' A' ' 41' ' ' VAL . 92.5 m-85 -119.61 122.54 41.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.399 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.043 176.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.602 0.239 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 p80 174.64 168.21 0.26 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.008 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -177.46 13.41 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.809 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -58.91 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.431 0.616 . . . . 0.0 111.954 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 81.5 m-85 -87.03 114.55 23.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.757 -175.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HE2' ' A' ' 145' ' ' TYR . 50.7 mm -127.43 130.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 111.171 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.38 127.05 52.77 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 145' ' ' TYR . 14.0 m -128.18 112.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.208 0.528 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.653 -176.224 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.421 ' HA ' HD13 ' A' ' 53' ' ' LEU . 38.6 m . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 112.187 0.439 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -73.26 -33.31 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 0.0 110.727 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.57 -26.95 68.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.087 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 50' ' ' SER . 6.9 mp -65.29 -38.72 91.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -43.35 96.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.81 96.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.043 179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 41.5 t90 -59.42 -44.38 92.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.01 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.3 t -64.92 -46.52 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.526 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.99 82.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.45 -36.59 81.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.54 76.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.142 0.496 . . . . 0.0 110.182 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.503 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.55 -21.73 62.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.8 1.77 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.26 32.18 60.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.552 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -122.05 161.06 23.7 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.573 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 47.7 t30 -86.97 133.05 33.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.8 147.84 25.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.611 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.21 135.53 10.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 43.1 p90 -107.37 131.38 54.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.3 mt -121.91 124.67 71.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.795 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 2.8 m-20 -82.57 106.03 14.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.8 44.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.932 0.396 . . . . 0.0 111.716 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -114.36 39.82 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.487 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 23.1 t -165.68 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.934 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.8 mtm -131.05 144.38 53.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.27 157.94 29.72 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.544 2.163 . . . . 0.0 112.545 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 102' ' ' LEU . 34.8 tp -93.65 143.95 25.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -139.89 157.91 44.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.023 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.69 -14.1 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.3 -25.79 62.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 110.667 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -21.7 61.73 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.843 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.48 -17.81 62.97 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 111.08 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.39 -20.14 34.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.38 0.609 . . . . 0.0 110.497 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -85.69 137.4 32.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.206 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -90.68 -29.5 17.68 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.463 0.649 . . . . 0.0 110.158 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 74.1 m-85 -112.88 100.61 8.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.64 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.58 133.27 49.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.627 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -126.03 122.95 37.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.634 175.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 47.0 t -120.91 124.5 72.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.898 0.38 . . . . 0.0 110.32 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.91 148.96 33.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.493 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 34.4 mt-30 63.58 35.31 11.81 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.7 0.625 . . . . 0.0 110.065 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 11.8 p -65.21 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.956 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.598 ' HA ' HD21 ' A' ' 129' ' ' LEU . 34.2 mm-40 -65.99 -12.42 54.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.193 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -101.19 14.5 31.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 75.1 mt -56.05 134.85 52.84 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.713 0.292 . . . . 0.0 111.28 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.09 -89.79 1.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.968 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -129.27 -70.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.689 -0.301 . . . . 0.0 110.612 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -62.04 -31.65 72.08 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.235 0.541 . . . . 0.0 110.472 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.491 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.8 mp0 -64.06 -40.25 95.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.78 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.16 -45.36 85.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.091 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -67.18 -48.37 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 0.0 109.709 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -54.96 -44.61 74.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.716 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -52.83 -48.95 66.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.287 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -63.12 -34.48 77.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.286 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 102' ' ' LEU . 65.2 mt -62.11 -46.89 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.571 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.558 ' HE1' ' HG ' ' A' ' 118' ' ' LEU . 3.1 m-30 -64.77 -32.86 74.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.023 177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -67.43 -39.51 85.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.29 -44.28 97.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.48 -50.45 72.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.603 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.363 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -41.13 82.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.053 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.7 t -98.71 -26.42 14.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.916 0.388 . . . . 0.0 111.375 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.2 20.31 67.52 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 68.9 tttt -114.0 174.16 6.08 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.075 -0.563 . . . . 0.0 109.516 -174.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.448 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 87.78 166.76 42.78 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.135 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.47 -69.4 0.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HG ' ' HE1' ' A' ' 107' ' ' PHE . 1.4 tm? 75.54 126.7 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.419 1.074 . . . . 0.0 110.039 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 118' ' ' LEU . 59.2 tp -129.1 130.29 46.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.869 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.441 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 95.6 mt -121.91 122.47 39.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.41 . . . . 0.0 111.041 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.95 -103.72 1.15 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 65.06 -154.67 0.28 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.395 0.617 . . . . 0.0 112.069 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 1.1 tm-20 -149.8 166.48 29.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 66.96 -163.23 0.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.276 0.489 . . . . 0.0 109.856 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 p -129.57 152.74 80.2 Favored Pre-proline 0 C--N 1.322 -0.602 0 O-C-N 121.955 -0.466 . . . . 0.0 110.689 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.708 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 38.0 Cg_endo -68.66 -18.39 42.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.576 2.184 . . . . 0.0 111.852 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.83 -19.39 60.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.265 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -90.89 -8.36 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.227 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 93' ' ' GLU . 32.8 mt -68.65 134.11 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 112.236 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.36 82.94 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.822 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 26.1 pt -135.81 -174.36 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.005 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 132' ' ' ARG . 29.3 mmt-85 -54.1 132.06 42.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.17 -38.17 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.42 -38.1 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.565 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -81.51 -37.05 28.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.125 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.2 -27.74 62.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.434 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -34.71 77.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.081 0.467 . . . . 0.0 109.956 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -68.62 -31.77 71.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.538 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 24.8 mmt -67.31 -20.48 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.72 8.42 10.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.736 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.53 -12.19 40.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.522 0.201 . . . . 0.0 111.369 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 28.3 p -87.95 141.76 28.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.1 0.476 . . . . 0.0 110.677 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.72 154.24 28.71 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.214 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.4 t -117.71 116.13 50.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.376 . . . . 0.0 110.329 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.53 ' HB2' HG12 ' A' ' 41' ' ' VAL . 36.2 m-85 -107.42 120.72 42.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.929 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.652 174.254 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttp . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -157.83 -171.34 3.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.266 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.08 -146.95 13.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 44.5 tt0 -92.91 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.33 104.36 14.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -123.6 122.85 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -173.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -111.18 123.15 49.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 145' ' ' TYR . 28.8 m -115.44 133.27 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.129 0.49 . . . . 0.0 109.815 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -175.145 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.62 -26.92 58.22 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.277 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.2 mp -73.27 -49.59 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.568 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -67.59 -34.09 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.437 0.637 . . . . 0.0 110.099 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.09 -48.21 76.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.63 175.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 42.8 t90 -58.1 -35.66 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.392 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 69' ' ' TYR . 79.5 t -69.93 -55.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.272 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -61.04 -38.37 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.942 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -66.43 -40.58 89.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.99 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.346 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 58' ' ' ALA . 79.8 mt -59.76 -46.42 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.934 176.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.43 -26.53 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.24 -7.29 48.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.46 13.04 42.8 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.708 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -107.39 179.23 4.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 64.2 t30 -110.08 134.57 52.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.775 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -150.95 150.42 30.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.58 138.02 19.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.524 ' HB3' HG21 ' A' ' 57' ' ' VAL . 51.0 p90 -104.94 136.16 44.94 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.98 116.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.496 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.15 94.87 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -70.92 -7.03 42.95 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -170.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.96 40.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.077 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -129.9 -15.74 3.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.025 0.441 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 87.3 mtp -123.76 150.95 63.4 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 31.1 Cg_endo -91.84 155.04 3.39 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.935 2.423 . . . . 0.0 111.896 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.92 143.96 29.5 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -133.06 171.13 14.4 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.042 0.449 . . . . 0.0 111.094 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.06 -12.85 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.81 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.38 -26.11 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.862 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.7 m-85 -66.47 -20.2 65.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.694 0.283 . . . . 0.0 111.478 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -82.08 -21.83 36.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.468 . . . . 0.0 111.354 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.498 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -84.17 144.46 28.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.375 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -84.86 -32.91 22.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.866 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 19.5 m-85 -116.39 113.7 23.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.336 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.539 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.5 mm? -110.0 120.85 43.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.872 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 115.68 25.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.886 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.11 123.74 68.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.93 116.05 28.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.422 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.9 mp0 57.62 72.36 0.52 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 -174.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.525 HG12 ' OG ' ' A' ' 122' ' ' SER . 8.0 p -70.23 -17.94 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.036 0.446 . . . . 0.0 111.222 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.3 pm0 -73.6 -7.69 52.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.114 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.0 mmmt -84.25 -3.64 58.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 111.25 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 88.3 mt -75.94 140.5 42.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.664 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.31 -84.83 0.59 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.755 -173.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -129.47 -70.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 111.464 -172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.0 -36.6 84.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.298 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.7 mp0 -60.09 -36.93 78.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.981 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.516 ' OE1' ' HG3' ' A' ' 132' ' ' ARG . 67.7 mt-30 -71.29 -34.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.682 0.277 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.13 72.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 0.0 110.08 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -65.91 -48.72 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.404 176.242 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 135' ' ' LEU . 2.8 tm? -55.07 -45.29 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.884 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.502 ' HD1' ' HG3' ' A' ' 138' ' ' ARG . 42.4 t80 -52.36 -50.57 62.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 174.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.505 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 7.5 t -60.74 -38.36 84.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.746 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 102' ' ' LEU . 76.3 mt -58.12 -52.38 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.8 -43.43 90.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.0 -53.58 51.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.34 -40.86 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.712 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.4 -38.42 87.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.695 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 111' ' ' ARG . 26.4 mmt180 -74.98 -26.13 59.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.547 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -41.99 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -78.73 -40.78 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.053 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.83 -19.33 52.68 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 115' ' ' LYS . 2.3 tmmt? -106.65 173.47 6.3 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.44 144.38 12.52 Favored Glycine 0 C--N 1.32 -0.341 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.619 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 71.5 m-85 -120.46 140.87 50.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.767 0.318 . . . . 0.0 110.715 -175.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -137.87 130.19 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -176.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.03 115.39 18.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.927 0.394 . . . . 0.0 109.98 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.53 122.9 49.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.4 105.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.525 ' OG ' HG12 ' A' ' 92' ' ' VAL . 44.6 m -129.12 -179.28 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 124' ' ' TYR . 7.7 tp10 -102.99 112.51 25.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.02 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.46 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 40.1 m-85 72.73 -176.8 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.292 0.637 . . . . 0.0 111.758 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -85.21 155.1 60.45 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.82 -173.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.73 -22.59 62.06 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.505 2.803 . . . . 0.0 113.909 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 127' ' ' GLN . 1.7 mp0 -80.61 -19.08 46.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -92.78 -14.27 28.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 109.925 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 93' ' ' GLU . 96.9 mt -91.48 134.84 34.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.404 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -92.23 89.21 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 0.0 110.23 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.44 -175.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.516 ' HG3' ' OE1' ' A' ' 100' ' ' GLN . 48.2 mtp180 -63.46 132.04 50.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.34 -42.43 77.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.875 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.72 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 30.7 t70 -63.54 -39.67 95.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.46 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 103' ' ' LEU . 58.7 tp -64.91 -35.52 81.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.17 -40.84 95.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.189 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.7 t -76.85 -20.59 56.13 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.828 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 23.8 mmt180 -77.24 -23.5 51.29 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.133 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.68 -20.8 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.84 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.27 -4.74 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -92.69 18.64 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 0.0 111.26 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 28.9 p -136.48 162.83 31.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.03 154.38 22.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -119.25 117.24 53.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.844 0.354 . . . . 0.0 110.139 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.1 m-30 -98.25 123.73 42.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 176.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.828 176.112 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 mttt . . . . . 0 C--O 1.237 0.427 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' HD21 ' A' ' 119' ' ' LEU . 4.6 p80 -177.46 -28.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.34 -176.35 19.67 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.043 -1.075 . . . . 0.0 113.057 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 56.0 tt0 -80.28 -77.11 0.2 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.608 0.363 . . . . 0.0 111.933 -176.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.18 99.41 11.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 119' ' ' LEU . 50.6 mm -121.73 124.04 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.14 0.495 . . . . 0.0 111.313 -174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 56.9 t80 -109.98 125.3 52.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.221 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.9 143.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 121.572 0.701 . . . . 0.0 110.367 179.46 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 53' ' ' LEU . 34.7 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.478 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 7.3 p-80 -64.49 -32.8 74.58 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.959 1.254 . . . . 0.0 111.356 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 53' ' ' LEU . 3.1 pp -76.39 -26.11 55.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.619 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.3 mp -74.46 -47.72 31.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 176.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 51' ' ' HIS . 12.1 pt20 -63.28 -39.18 93.86 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.111 -174.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.0 -40.78 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.66 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.477 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.1 t90 -69.76 -41.84 74.64 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.646 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 67' ' ' ALA . 72.4 t -62.94 -51.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.867 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.83 85.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.305 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.16 -39.0 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.397 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.76 77.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.598 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.12 -49.37 77.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.91 -7.82 56.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.185 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.12 59.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.267 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.62 24.22 39.88 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.397 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -109.51 159.7 16.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.34 132.35 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -157.7 141.31 15.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.749 -174.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.82 140.75 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.497 ' HB3' HG21 ' A' ' 57' ' ' VAL . 50.9 p90 -118.42 132.79 56.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -120.99 128.25 76.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 1.7 m-20 -91.73 109.28 20.59 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.65 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.25 -3.21 34.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 33.4 t -125.98 -29.9 3.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.28 0.562 . . . . 0.0 110.547 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.9 mtm -136.05 144.23 47.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.034 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.38 163.0 17.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.344 2.029 . . . . 0.0 111.616 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 37.0 tp -86.34 144.19 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.2 p -123.84 161.29 25.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -74.84 -18.71 60.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -24.49 66.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.012 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.24 -18.1 56.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.835 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.14 -27.5 69.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -78.67 -24.74 44.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.67 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -72.67 119.74 17.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.424 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.39 -33.72 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.767 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 10.5 m-85 -111.83 100.55 9.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 84' ' ' ALA . 1.5 tm? -116.0 130.55 56.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.0 110.463 -173.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -130.56 136.04 48.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.89 133.52 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.829 0.347 . . . . 0.0 110.483 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.95 136.71 46.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 65.56 42.16 3.81 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.631 0.582 . . . . 0.0 111.183 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 120' ' ' LEU . 21.3 t -55.04 -30.64 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.732 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -32.65 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.17 19.62 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -172.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -80.31 138.59 36.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 170.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 69.91 0.81 Allowed Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.708 -0.758 . . . . 0.0 114.055 -172.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.6 t30 70.89 -60.22 0.51 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.112 0.565 . . . . 0.0 112.145 175.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.71 -53.29 53.5 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.342 0.257 . . . . 0.0 111.08 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.4 mp0 -67.64 -28.9 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.14 -42.18 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.075 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.94 72.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.2 -49.3 67.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.379 174.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.56 -44.05 76.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.298 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.577 ' HD1' ' HG ' ' A' ' 135' ' ' LEU . 77.1 t80 -55.62 -42.43 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 176.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 108' ' ' ASN . 7.0 t -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.458 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.2 mt -62.53 -45.41 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.942 174.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.84 -41.58 82.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.092 0.472 . . . . 0.0 109.975 173.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 36.1 t30 -58.45 -53.83 53.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.469 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.06 -35.84 79.84 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.146 -175.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' HA3' ' A' ' 116' ' ' GLY . 20.8 m-30 -68.77 -54.41 16.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.916 0.388 . . . . 0.0 110.477 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.55 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -66.41 -46.21 77.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.824 -175.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.9 p -82.03 -43.16 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.503 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.27 -2.82 43.54 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.77 173.22 6.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.567 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 103.64 143.42 12.68 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.895 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 37' ' ' GLN . 76.9 m-85 -127.27 127.14 43.89 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.449 HD13 ' HE2' ' A' ' 110' ' ' PHE . 22.1 tp -126.01 138.0 53.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.278 0.561 . . . . 0.0 111.126 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -128.79 122.75 31.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.35 177.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.713 HD22 HG21 ' A' ' 92' ' ' VAL . 89.6 mt -121.42 127.19 50.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.54 146.57 17.87 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.6 t -160.53 -178.77 7.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.192 0.496 . . . . 0.0 110.627 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.45 -14.56 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.987 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -133.94 -175.46 3.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 126' ' ' PRO . 6.6 p -74.81 155.18 87.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.287 175.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.71 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 37.1 Cg_endo -63.89 -30.48 67.69 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 122.99 2.46 . . . . 0.0 113.898 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.33 -4.46 42.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.721 0.296 . . . . 0.0 111.088 -176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -101.23 -6.21 24.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.313 0.578 . . . . 0.0 109.765 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 125' ' ' THR . 96.1 mt -71.31 139.04 49.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.46 79.98 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.583 0.706 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.8 pt -131.79 -173.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.538 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 135' ' ' LEU . 4.5 mmp_? -47.73 130.64 14.61 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.562 0.539 . . . . 0.0 110.456 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 136' ' ' ARG . 37.2 tt0 -65.38 -34.01 77.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.147 -175.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.09 -42.44 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 132' ' ' ARG . 3.7 tt -61.84 -38.83 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.074 -175.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 133' ' ' GLU . 16.9 ptp180 -65.02 -22.08 66.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 p -80.43 -30.43 37.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.23 0.538 . . . . 0.0 109.864 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.403 ' HG3' ' HE1' ' A' ' 104' ' ' PHE . 30.8 mmt180 -67.68 -19.5 65.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.465 0.65 . . . . 0.0 109.791 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.71 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 21.0 mmt -64.15 -19.01 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.212 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.76 -5.09 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.645 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.71 -26.25 59.69 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.687 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 p -103.23 162.41 13.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.65 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.2 153.81 24.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.918 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.47 116.56 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.063 0.459 . . . . 0.0 109.834 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -120.65 129.74 53.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.455 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 pttm . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -151.92 -169.02 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.476 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.3 -161.73 18.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.673 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 22.9 mt-30 -79.31 -73.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.946 0.373 . . . . 0.0 110.907 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 99.4 m-85 -102.31 99.74 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.511 -176.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.87 118.29 54.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.258 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.39 123.79 48.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.59 118.85 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.152 0.501 . . . . 0.0 110.032 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.135 -178.364 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -57.3 -53.05 62.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.8 mt -64.09 -33.55 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 -177.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 90' ' ' ASP . 7.2 mp -72.16 -45.56 59.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.65 99.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 43.6 t90 -71.14 -40.53 71.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.979 -177.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.1 t -68.22 -47.44 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.502 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.81 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.36 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.568 -178.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.89 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.018 0.437 . . . . 0.0 110.517 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.48 -47.28 86.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.158 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.22 -9.34 58.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.388 . . . . 0.0 111.102 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 -4.16 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.49 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.78 14.99 51.21 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.9 159.24 18.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.528 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 57.7 t30 -92.93 133.7 35.85 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -144.69 149.55 35.82 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.493 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.92 131.46 13.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' HB3' HG21 ' A' ' 57' ' ' VAL . 46.5 p90 -109.37 131.09 55.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.67 113.29 36.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.455 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.7 m-20 -79.85 102.18 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -18.89 60.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -173.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 26.8 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.787 0.327 . . . . 0.0 111.644 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -162.9 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 0.0 110.607 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 72.3 mtm -127.39 144.26 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.604 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.2 162.65 7.08 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.777 2.318 . . . . 0.0 112.591 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.7 tp -84.99 144.44 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 p -133.79 164.39 27.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.857 0.361 . . . . 0.0 110.605 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.97 -12.74 61.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.249 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.96 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.053 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -21.91 61.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.059 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.99 -12.63 61.85 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -81.08 -25.92 36.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.176 0.513 . . . . 0.0 110.823 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -89.02 144.46 26.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.259 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.66 -33.95 16.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.973 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 11.8 m-85 -105.9 105.85 16.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.078 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.57 135.11 50.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.869 0.366 . . . . 0.0 110.678 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.85 124.68 41.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.895 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.53 114.44 44.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.71 0.291 . . . . 0.0 110.723 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.661 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 14.5 t70 -90.07 121.69 32.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.71 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.459 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 47.2 mt-30 62.83 57.3 1.74 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.545 0.528 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 122' ' ' SER . 12.0 p -57.43 -23.52 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.358 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.568 ' HB2' HD22 ' A' ' 129' ' ' LEU . 32.7 tt0 -60.0 -24.94 64.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 111.515 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 mppt? -89.2 19.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.129 -173.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.39 151.4 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 173.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -128.72 5.73 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.29 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -89.19 -71.0 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.422 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.32 -33.89 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 -174.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 99' ' ' GLU . 1.5 mp0 -60.78 -37.96 83.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.499 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HG3' HD22 ' A' ' 135' ' ' LEU . 10.0 tt0 -66.85 -43.53 83.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 0.0 110.569 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.89 -48.41 74.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.393 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.23 -46.34 75.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.26 -42.11 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.0 m -62.5 -37.92 87.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.904 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.73 -47.86 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 110.173 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.76 -48.45 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.232 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 28.2 t-20 -61.26 -37.99 85.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.21 -50.52 67.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.288 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.88 -42.99 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.536 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -65.37 -25.98 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.813 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -64.23 -50.39 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.249 0.547 . . . . 0.0 110.328 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -79.52 -38.95 33.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.392 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.39 -7.75 30.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.056 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -102.9 -165.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 102.61 132.26 7.61 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.963 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.1 m-85 -117.52 119.98 36.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.727 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.2 104.86 16.93 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.43 123.31 46.62 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.879 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -128.09 147.03 17.14 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.783 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.458 ' HB2' HG12 ' A' ' 92' ' ' VAL . 9.7 t -176.47 161.03 2.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.3 131.02 44.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 125' ' ' THR . 96.6 m-85 66.53 -164.06 0.23 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 111.776 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 124' ' ' TYR . 17.1 p -89.56 157.55 46.78 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.898 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.36 -26.23 63.54 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.932 2.421 . . . . 0.0 112.33 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 35.6 mt-30 -81.79 -4.19 55.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.142 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.95 -9.97 15.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.849 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 93' ' ' GLU . 88.0 mt -75.5 146.82 40.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.339 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.67 90.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.318 0.58 . . . . 0.0 110.597 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 135' ' ' LEU . 14.2 pt -144.72 -173.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.301 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -57.73 134.25 56.06 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.42 -32.37 73.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 1.8 t70 -58.52 -50.05 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.562 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.548 HD22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 tp -63.73 -36.22 83.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 127' ' ' GLN . 41.0 ttm180 -56.54 -46.79 80.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.513 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.8 t -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.66 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 16.0 mmt180 -71.59 -39.22 70.68 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-O 121.275 0.56 . . . . 0.0 109.613 173.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 88.2 mmm -62.2 -31.37 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.251 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.38 -5.57 45.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.047 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.621 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 36.9 m-85 -78.52 -12.0 59.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 34.0 m -90.13 174.35 7.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.072 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.99 162.75 17.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.307 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.0 t -130.63 116.16 34.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.488 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -108.26 144.23 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.37 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.558 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 121.141 0.495 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -134.23 -169.23 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -166.27 8.42 Favored Glycine 0 CA--C 1.522 0.49 0 O-C-N 123.424 0.453 . . . . 0.0 113.877 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.588 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 19.8 mt-30 -72.05 -72.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 120.735 0.302 . . . . 0.0 111.626 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -98.5 101.88 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD12 ' HE2' ' A' ' 145' ' ' TYR . 46.6 mm -122.22 129.12 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 -175.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 142' ' ' CYS . 43.8 t80 -116.01 126.85 54.36 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 145' ' ' TYR . 6.2 m -125.2 138.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.277 -176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 . . . . . 0 C--O 1.236 0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.355 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -73.44 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 111.267 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.48 -26.03 63.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 88' ' ' ALA . 6.7 tp -54.69 -52.44 62.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.466 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.03 -40.67 62.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.98 -45.68 82.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.283 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 52.1 t90 -64.04 -41.17 97.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.122 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 69' ' ' TYR . 54.5 t -67.93 -46.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.759 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.0 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.585 0.231 . . . . 0.0 111.289 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.2 -48.43 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 86' ' ' TYR . . . -66.11 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.535 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 67.1 mt -63.0 -42.77 99.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.04 -6.95 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.13 0.86 50.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.128 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.5 16.04 78.63 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.168 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -107.68 168.79 9.01 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.486 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 44.4 t30 -101.34 133.25 46.23 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.94 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.93 160.81 42.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.12 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.24 131.76 5.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.594 ' HB3' HG21 ' A' ' 57' ' ' VAL . 14.4 p90 -104.9 125.06 50.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 69.8 mt -124.16 118.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.623 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.875 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 4.5 p-10 -95.04 114.26 26.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.383 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -60.27 -18.33 48.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.999 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.89 72.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -127.89 -11.59 5.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.942 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.513 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 66.3 mtm -139.32 143.49 36.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.784 0.326 . . . . 0.0 111.579 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 86.9 Cg_endo -97.28 169.83 0.83 Allowed 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.301 2.667 . . . . 0.0 112.371 174.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.77 144.04 25.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -139.51 168.63 19.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.99 -24.26 62.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.229 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -25.77 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 110.483 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 -9.03 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.646 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HZ ' ' HD2' ' A' ' 109' ' ' ARG . 4.6 t80 -70.11 -16.97 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.253 0.549 . . . . 0.0 109.96 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.38 -23.0 64.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.24 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -75.04 139.32 42.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -86.02 -33.18 21.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.236 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.582 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 10.3 m-85 -112.02 108.84 18.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.336 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.7 mm? -103.14 131.12 50.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.046 0.45 . . . . 0.0 110.884 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB1' ' HG ' ' A' ' 53' ' ' LEU . . . -119.53 116.22 25.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.536 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.47 122.7 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.0 111.504 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.875 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 22.4 t70 -98.42 126.75 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.743 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 46.4 mt-30 58.73 52.72 6.46 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.572 0.545 . . . . 0.0 111.77 176.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.9 p -58.35 -22.06 19.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.641 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.575 ' HG3' HD22 ' A' ' 129' ' ' LEU . 2.9 tm-20 -65.96 -25.72 67.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.397 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.743 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 23.9 mmmt -83.74 -2.15 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 111.464 -172.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 95.9 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 111.143 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.07 70.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.255 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 t30 69.41 -63.92 0.36 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.207 0.603 . . . . 0.0 112.481 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.5 -50.58 72.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.617 0.246 . . . . 0.0 111.497 -171.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.8 mp0 -59.89 -42.9 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.45 -25.8 57.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.047 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.23 78.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.287 0.565 . . . . 0.0 109.635 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -63.77 -46.98 82.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.182 174.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.67 -44.78 73.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.447 ' HB2' HD13 ' A' ' 135' ' ' LEU . 77.8 t80 -52.14 -46.29 65.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 177.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 t -62.92 -44.98 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.86 -51.32 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.16 0.505 . . . . 0.0 110.445 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -62.97 -42.32 99.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -63.45 -50.07 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.123 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD2' ' HZ ' ' A' ' 82' ' ' PHE . 97.9 mtt180 -66.41 -36.06 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -61.61 -50.55 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 111.08 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -28.11 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 0.0 110.651 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -75.13 -41.77 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.955 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 m -67.16 -43.11 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.68 -34.67 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.684 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -114.38 173.23 6.56 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.79 138.59 5.72 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.8 m-85 -120.99 140.0 52.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.758 0.313 . . . . 0.0 110.528 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.24 117.27 11.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 -179.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.4 tp -106.79 110.12 22.21 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.603 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.96 114.13 28.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -104.26 112.91 4.26 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.865 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.0 m -152.69 132.86 13.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.96 -27.98 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.447 ' CE2' HD23 ' A' ' 129' ' ' LEU . 10.0 p90 -122.76 171.23 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.917 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.43 ' HB ' ' OE1' ' A' ' 127' ' ' GLN . 8.7 p -73.07 154.23 90.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -169.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 20.7 Cg_exo -66.02 -24.36 52.76 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.236 2.624 . . . . 0.0 112.505 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.43 ' OE1' ' HB ' ' A' ' 125' ' ' THR . 23.7 mp0 -67.05 -24.55 66.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.626 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -99.72 5.13 45.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.575 HD22 ' HG3' ' A' ' 93' ' ' GLU . 85.9 mt -85.45 133.69 34.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.53 70.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.628 0.728 . . . . 0.0 109.733 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 pt -119.42 177.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.36 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -54.94 138.81 42.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.566 0.541 . . . . 0.0 110.403 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 0.0 OUTLIER -70.46 -33.51 71.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.83 0.348 . . . . 0.0 110.527 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.8 -28.36 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 104' ' ' PHE . 58.7 tp -81.28 -37.19 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.982 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -61.91 -38.62 89.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.334 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.6 p -64.57 -37.16 86.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.362 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 28.5 mmt180 -69.69 -19.56 63.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.267 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -70.42 -19.6 62.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.52 9.81 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.787 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 36.3 m-85 -94.42 11.56 30.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.654 0.264 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 40' ' ' TYR . 28.6 p -116.68 -173.62 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mp -109.1 153.69 23.34 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.9 t -118.04 116.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.09 0.471 . . . . 0.0 110.756 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.478 ' HB2' HG12 ' A' ' 41' ' ' VAL . 89.4 m-85 -107.89 130.24 55.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.523 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.416 -177.396 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? . . . . . 0 CA--C 1.528 0.13 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -143.6 -170.31 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.75 -161.78 16.7 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.699 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 40.8 mt-30 -78.52 -76.22 0.2 Allowed 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.5 97.71 7.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.023 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -118.56 123.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -110.6 109.13 19.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 14.2 m -89.4 122.04 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 7.4 p-90 . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.491 -172.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 53' ' ' LEU . 10.6 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -56.89 -33.09 66.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.988 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.58 -25.91 61.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.08 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.1 mp -70.47 -44.03 68.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.85 -45.92 92.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.131 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.23 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.694 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -60.89 -41.39 95.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.644 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 70.5 t -64.4 -49.14 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.234 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.7 82.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.413 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.06 -43.65 98.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.94 68.47 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 79.5 mt -61.9 -47.83 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.6 -21.53 65.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.936 0.398 . . . . 0.0 111.201 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -14.83 60.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.71 20.69 33.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.085 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -102.54 -174.46 2.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 51.8 t30 -109.47 133.07 53.52 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -153.1 141.62 20.81 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.442 -175.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.73 142.11 28.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.459 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.5 p90 -111.35 136.02 51.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.718 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.505 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 71.1 mt -132.99 128.13 56.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.411 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.439 ' HB2' ' NE2' ' A' ' 91' ' ' GLN . 3.5 p-10 -121.23 126.71 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.03 12.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.672 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 91' ' ' GLN . . . -114.36 20.17 15.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.241 0.543 . . . . 0.0 110.582 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -167.09 -33.12 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.935 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.505 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 76.2 mtm -128.27 144.58 52.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -84.83 170.1 10.16 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.98 2.453 . . . . 0.0 111.239 172.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 102' ' ' LEU . 38.3 tp -86.64 144.66 27.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 p -125.28 163.13 23.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.0 111.16 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.22 -12.92 59.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.505 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -24.86 66.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.797 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -59.48 -20.94 59.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.163 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 66.8 m-85 -74.6 -18.38 60.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.966 0.412 . . . . 0.0 110.973 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -89.59 -24.21 21.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 0.0 110.766 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.45 113.87 22.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.65 -42.72 98.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.448 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 42.8 m-85 -101.8 107.14 18.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.963 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 81' ' ' ALA . 35.9 tp -116.26 130.51 56.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.351 0.596 . . . . 0.0 110.972 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.7 117.44 28.92 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.137 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.33 118.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.937 0.399 . . . . 0.0 110.613 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.17 175.53 5.43 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.606 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 62.22 37.25 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.121 0.486 . . . . 0.0 111.02 -175.248 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.35 157.94 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.289 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 75.83 -14.49 0.78 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.456 0.702 . . . . 0.0 111.201 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -91.93 4.88 51.98 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 122.102 -0.374 . . . . 0.0 111.433 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.62 150.74 39.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.497 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.63 -79.04 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.167 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -148.86 -66.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.326 -174.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.21 -35.93 74.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.938 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.624 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -73.86 -32.28 63.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.301 . . . . 0.0 110.666 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.14 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.479 . . . . 0.0 110.104 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -66.27 -45.68 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.179 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.66 -44.71 73.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.59 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -56.5 -46.74 80.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 174.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.432 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.4 t -59.53 -36.41 76.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.422 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.51 -49.0 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HE1' ' SG ' ' A' ' 142' ' ' CYS . 10.6 m-85 -61.03 -32.11 71.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.054 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.671 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 44.1 t30 -62.21 -59.32 5.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.696 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.0 -48.91 67.16 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.339 0.399 . . . . 0.0 111.31 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.21 -55.16 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.699 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.14 -18.26 53.51 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASN . . . . . 0.671 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 3.1 t-20 -63.82 -47.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 110.081 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -97.4 -4.54 38.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.49 37.85 94.17 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.415 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -132.57 174.82 9.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.26 162.36 36.73 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.661 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.3 m-85 -132.07 132.92 43.77 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 24.1 tp -135.3 136.39 41.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.456 0.646 . . . . 0.0 110.727 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.6 tp -128.65 118.98 23.84 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.551 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.52 149.08 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.16 -156.25 6.83 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.554 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 m 72.68 152.61 0.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.246 0.618 . . . . 0.0 112.137 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.08 -163.71 0.25 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.062 174.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.611 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 89.3 m-85 -98.57 -84.03 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 p -134.69 153.27 78.8 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.35 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.3 Cg_exo -61.84 -16.69 50.81 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.166 2.577 . . . . 0.0 111.974 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.91 -18.91 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.144 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -129.12 12.9 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 126' ' ' PRO . 62.2 mt -77.29 159.29 29.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.424 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.9 t -87.04 66.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.792 0.806 . . . . 0.0 110.072 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 136' ' ' ARG . 14.4 pt -122.8 160.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.642 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -90.42 164.67 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.33 -46.52 83.18 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -168.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.12 -30.89 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.155 0.503 . . . . 0.0 111.029 -174.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.424 ' O ' HD23 ' A' ' 135' ' ' LEU . 5.8 tt -82.47 -36.98 26.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.317 0.58 . . . . 0.0 109.574 175.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 131' ' ' ILE . 16.7 ttt180 -59.66 -38.91 82.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.793 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.7 p -67.52 -36.4 80.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.337 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.01 -36.75 80.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 175.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.0 mmt -65.9 -25.07 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.203 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.82 -12.69 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -88.85 5.39 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.402 ' SG ' ' HE1' ' A' ' 107' ' ' PHE . 79.9 m -106.67 142.35 36.46 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.631 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.29 154.37 35.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.44 116.51 52.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.814 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 43.6 m-85 -132.41 144.49 50.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 111.633 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.282 -178.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.94 0.4 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.52 -99.13 0.23 Allowed Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 64.72 8.23 4.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.122 0.487 . . . . 0.0 111.297 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -111.01 120.24 41.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.816 0.341 . . . . 0.0 110.335 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 146' ' ' GLU . 11.9 p80 -148.07 124.11 10.73 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -135.87 123.71 22.6 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.783 0.325 . . . . 0.0 110.366 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -60.31 100.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.957 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -115.13 97.83 6.44 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.05 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.3 m -76.28 90.71 3.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.09 0.471 . . . . 0.0 111.747 -173.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -144.43 -175.41 4.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.627 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.4 tpt 67.34 75.0 0.31 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.811 0.815 . . . . 0.0 110.26 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -115.3 14.23 16.8 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.043 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 54.1 m-85 -107.27 130.84 22.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.901 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 39.7 Cg_exo -60.67 -52.33 3.9 Favored 'Trans proline' 0 C--O 1.233 0.273 0 C-N-CA 122.658 2.239 . . . . 0.0 112.234 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m 59.52 87.0 0.09 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.857 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -157.54 157.01 32.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.659 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -157.37 160.72 38.74 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.73 175.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 13.9 pttm -58.05 133.81 55.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.357 -178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.959 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 29.3 t80 -67.75 -60.03 2.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.496 -174.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.959 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 1.3 pt? -133.02 43.46 2.95 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.151 1.38 . . . . 0.0 108.621 -7.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.472 ' H ' ' HD2' ' A' ' 19' ' ' PHE . . . -64.93 1.66 3.28 Favored Glycine 0 CA--C 1.52 0.362 0 CA-C-N 114.938 -1.028 . . . . 0.0 115.071 -169.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 m 65.16 29.21 12.0 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.628 0.728 . . . . 0.0 110.81 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.29 167.72 20.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.303 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -90.05 11.71 19.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.072 0.939 . . . . 0.0 108.673 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 -17.35 54.28 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 114.567 -1.197 . . . . 0.0 111.588 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.0 mt-10 -58.49 -29.6 66.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.31 177.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 47.2 tp -72.89 -36.41 67.31 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.22 0.533 . . . . 0.0 110.164 176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.93 -33.34 60.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.491 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -69.39 -26.14 64.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.304 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 93.8 t -75.51 -45.91 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.314 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.524 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 93.1 mt -54.28 102.31 0.06 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 31' ' ' LEU . 4.0 mpt_? -127.08 -164.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.978 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -99.32 169.99 8.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.445 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.49 -179.83 7.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -158.84 -164.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.651 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.15 164.68 6.14 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 114.385 0.514 . . . . 0.0 114.385 -175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 48.1 tt0 -68.12 -55.35 12.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.119 -0.541 . . . . 0.0 111.56 -174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' HD2' ' A' ' 110' ' ' PHE . 75.5 m-85 -116.03 103.05 10.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.1 mm -123.31 131.25 73.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.323 0.583 . . . . 0.0 111.527 -176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 42.3 t80 -118.33 123.25 44.87 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.379 176.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.8 m -120.95 153.44 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.873 0.368 . . . . 0.0 110.688 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.3 p-90 -143.71 112.88 6.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.065 0.459 . . . . 0.0 110.75 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.1 -74.44 0.21 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.463 -0.875 . . . . 0.0 113.44 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' HG2' HG12 ' A' ' 147' ' ' VAL . 3.3 mp0 -57.35 -24.86 57.83 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -172.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.491 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 25.0 tp10 -137.28 -50.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.137 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.94 72.59 1.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.316 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.95 23.85 2.21 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.095 0.474 . . . . 0.0 110.195 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.31 33.45 8.71 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.884 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 49' ' ' LYS . 72.6 mmtt -119.23 -57.74 1.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.596 ' HA ' HD13 ' A' ' 53' ' ' LEU . 4.7 m 62.45 16.89 9.04 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 167.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -70.46 -33.94 71.85 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.009 -0.432 . . . . 0.0 110.707 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . 38.3 tp -73.26 -30.83 63.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.108 0.48 . . . . 0.0 109.736 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' ' 50' ' ' SER . 9.5 mp -66.66 -44.89 80.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.81 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -65.43 -38.42 89.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.452 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 30' ' ' VAL . . . -57.42 -48.76 78.28 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.503 0.668 . . . . 0.0 110.831 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.58 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 36.7 t90 -66.34 -38.77 88.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.787 -176.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 69' ' ' TYR . 56.2 t -64.85 -44.13 96.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.562 176.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.49 87.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.807 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -64.85 -28.62 69.68 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.773 -178.013 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.07 -40.31 60.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.053 0.454 . . . . 0.0 110.301 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.1 -36.41 77.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.219 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.32 -26.66 68.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.633 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.21 1.9 46.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.006 0.432 . . . . 0.0 110.784 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.9 16.1 75.84 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.866 -0.683 . . . . 0.0 111.92 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -103.58 153.43 20.6 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.56 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 14.7 t-20 -81.26 133.88 35.51 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 -175.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -155.97 141.57 17.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.085 -177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.9 146.36 24.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.001 0.429 . . . . 0.0 111.153 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HB3' HG21 ' A' ' 57' ' ' VAL . 29.7 p90 -116.33 137.61 52.01 Favored 'General case' 0 N--CA 1.444 -0.725 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.6 mt -128.08 130.08 69.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.558 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 7.8 m-20 -79.53 105.19 10.66 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.86 3.18 2.77 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.893 0.377 . . . . 0.0 111.69 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.38 9.34 7.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.558 ' HB3' ' CB ' ' A' ' 71' ' ' ASP . 32.0 t -141.47 -29.58 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.332 -177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.5 mtm -132.1 144.26 52.39 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.329 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.32 160.52 15.09 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.414 2.076 . . . . 0.0 112.411 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 49.9 tp -91.24 144.85 25.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.804 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.2 p -131.54 164.89 24.82 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.471 -177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.03 -21.3 65.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.275 0.56 . . . . 0.0 110.406 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.18 -24.06 64.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.359 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.15 -21.48 61.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.003 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -69.14 -13.01 62.18 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.06 -28.98 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 110.225 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -83.9 138.67 33.06 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.986 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -91.9 -31.54 15.63 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.718 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.444 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 19.7 m-85 -109.31 113.17 25.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.014 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.704 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.8 mm? -114.45 136.05 53.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.933 0.397 . . . . 0.0 111.21 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.44 125.34 41.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.053 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 120' ' ' LEU . 53.7 t -124.86 114.87 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -107.27 150.7 26.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 66.57 32.4 7.26 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.457 0.473 . . . . 0.0 111.402 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.32 119.9 18.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.515 0.674 . . . . 0.0 110.318 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' HG3' ' HG2' ' A' ' 94' ' ' LYS . 9.0 pt-20 172.87 -33.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.295 -1.32 . . . . 0.0 108.151 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.542 ' HG2' ' HG3' ' A' ' 93' ' ' GLU . 30.4 mmmt -88.77 14.5 10.09 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 114.826 -1.079 . . . . 0.0 111.936 -177.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.75 133.61 56.26 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 173.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -97.34 -84.46 1.74 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.522 -0.846 . . . . 0.0 113.345 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -139.41 -72.44 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.129 -0.228 . . . . 0.0 111.295 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -63.55 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.392 . . . . 0.0 110.662 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.717 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.16 -32.03 73.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.981 -178.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.561 ' HG3' HD22 ' A' ' 135' ' ' LEU . 25.9 tt0 -72.55 -42.25 64.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.162 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.64 -35.46 78.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 0.0 110.236 175.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -61.06 -49.35 77.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.251 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 135' ' ' LEU . 0.9 OUTLIER -58.06 -45.0 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.016 177.332 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -54.56 -46.45 73.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.004 175.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -62.1 -37.44 85.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.331 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.463 HD12 HD22 ' A' ' 103' ' ' LEU . 75.0 mt -58.6 -46.43 90.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.246 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -56.54 -43.44 79.9 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.596 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 58.6 t30 -63.44 -47.43 81.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.459 179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HE ' ' C ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -60.26 -33.5 72.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.446 -179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.704 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 10.7 m-30 -69.13 -56.05 8.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.943 0.401 . . . . 0.0 110.826 177.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -66.74 -33.87 76.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.198 -175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.596 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.5 OUTLIER -66.62 -50.79 61.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 -179.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -74.55 -29.19 61.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.676 -175.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.54 25.13 33.85 Favored Glycine 0 CA--C 1.507 -0.421 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 -173.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -131.14 -164.03 1.39 Allowed 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 113.856 -1.172 . . . . 0.0 109.341 -176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.535 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 91.37 125.41 3.33 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.908 174.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.58 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 81.2 m-85 -119.28 131.65 55.79 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 19.2 tp -139.04 141.3 38.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.486 0.66 . . . . 0.0 111.149 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.8 tp -141.36 116.3 9.84 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.351 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' VAL . 3.2 mp -121.41 148.3 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.749 0.309 . . . . 0.0 110.814 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -142.59 135.96 6.88 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.204 178.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 80.7 p -156.22 -167.85 2.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -104.87 -5.3 21.25 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 -173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.402 ' O ' HG23 ' A' ' 125' ' ' THR . 62.8 m-85 -121.88 -88.69 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.469 -0.892 . . . . 0.0 112.79 -171.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER 178.38 154.25 0.52 Allowed Pre-proline 0 N--CA 1.472 0.655 0 C-N-CA 123.035 0.534 . . . . 0.0 110.191 -178.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 54.8 Cg_endo -70.43 -28.57 21.86 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.4 2.067 . . . . 0.0 113.227 -172.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -100.41 4.29 43.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.973 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -115.67 -16.49 11.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 125' ' ' THR . 73.1 mt -70.7 152.05 44.25 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.276 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 35.5 t -76.82 92.66 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.108 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 17.8 pt -141.21 171.49 12.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.154 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.63 ' HB3' ' OD1' ' A' ' 134' ' ' ASP . 9.5 tpt180 -78.68 156.31 29.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.492 ' OE2' ' HG3' ' A' ' 132' ' ' ARG . 1.3 pm0 -68.5 -23.12 64.52 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -174.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.63 ' OD1' ' HB3' ' A' ' 132' ' ' ARG . 15.7 p-10 -69.74 -38.54 76.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.948 0.404 . . . . 0.0 110.194 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 100' ' ' GLN . 28.8 tp -79.2 -40.03 31.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -59.85 -36.82 77.64 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.536 -176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 2.1 p -67.32 -32.28 73.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.911 0.386 . . . . 0.0 111.135 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -73.48 -27.26 61.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.2 mmm -64.54 -18.51 64.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.49 -15.95 61.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.453 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -79.41 -11.66 59.91 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.869 0.366 . . . . 0.0 111.029 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 80.1 m -94.87 139.19 31.65 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.04 154.84 29.13 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.61 114.7 47.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.063 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -121.35 122.45 39.87 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.486 0.66 . . . . 0.0 111.771 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.581 ' HB2' ' HB2' ' A' ' 5' ' ' HIS . 47.8 mt-10 -110.88 132.95 53.77 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.758 -1.11 . . . . 0.0 108.205 172.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' A' ' 44' ' ' GLU . 9.7 p -87.04 5.11 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.869 0.842 . . . . 0.0 109.938 -176.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -65.84 132.48 94.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.729 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo . . . . . 0 C--O 1.252 1.194 0 C-N-CA 123.145 2.564 . . . . 0.0 112.741 -177.219 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptm . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.503 0.192 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.38 137.98 4.25 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.053 -1.07 . . . . 0.0 112.839 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -151.26 98.5 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -95.98 158.45 15.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.013 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -153.4 130.04 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.115 0.483 . . . . 0.0 111.372 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -126.57 178.78 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.598 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -166.34 129.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.375 0.422 . . . . 0.0 110.389 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -101.22 95.54 6.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 m -117.64 103.77 10.37 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -146.42 96.58 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.822 176.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.7 ptt? -131.68 120.06 22.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -146.53 114.9 6.7 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.279 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -81.22 144.22 53.78 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.996 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.11 127.54 15.25 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.618 2.212 . . . . 0.0 111.95 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.6 m -84.21 126.44 33.14 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.319 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -137.28 174.2 10.86 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 3.9 p-10 -147.68 141.37 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.82 0.343 . . . . 0.0 110.641 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.563 ' HG2' ' HG ' ' A' ' 20' ' ' LEU . 35.0 ttmt 171.98 168.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.03 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 22.7 t80 -133.07 -67.39 0.63 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 170.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.03 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 67.5 mt -101.93 -4.45 26.14 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 125.389 1.476 . . . . 0.0 107.431 -23.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -174.21 118.04 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 113.477 -1.692 . . . . 0.0 109.09 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.1 m -63.68 118.25 8.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.572 0.701 . . . . 0.0 112.796 -168.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -153.82 103.97 2.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.673 -1.148 . . . . 0.0 109.054 172.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.428 ' O ' HG23 ' A' ' 28' ' ' VAL . 14.1 t-20 -105.0 5.52 32.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.984 -176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.61 -35.48 54.54 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.647 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -65.05 -41.55 95.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 66.5 tp -76.31 -37.26 57.67 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.385 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 24' ' ' ASN . 69.7 t -54.98 -37.81 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.898 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.68 -37.83 82.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.149 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -74.35 -37.13 44.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.842 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 95.6 mt -56.91 105.44 0.22 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.161 -176.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.51 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 3.6 mpt_? -139.64 89.89 2.36 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.756 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.6 m80 67.63 174.97 0.26 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.035 176.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -122.12 -175.24 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.913 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HD2' ' HB2' ' A' ' 56' ' ' TRP . 82.9 m-70 -137.15 177.29 7.98 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.86 -164.44 20.2 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 121.447 -0.406 . . . . 0.0 112.855 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.606 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 41.2 tt0 -78.73 -76.59 0.19 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.696 0.284 . . . . 0.0 110.89 -177.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.511 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 74.4 m-85 -96.34 97.75 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 145' ' ' TYR . 49.3 mm -123.81 118.96 55.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -175.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 46.3 t80 -110.5 113.81 26.74 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 145' ' ' TYR . 22.5 m -108.4 132.13 57.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.321 179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -113.7 122.21 46.45 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.531 0.681 . . . . 0.0 110.372 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.11 123.31 1.07 Allowed Glycine 0 N--CA 1.441 -1.011 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.822 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.22 -36.89 85.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -175.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HG2' ' H ' ' A' ' 46' ' ' GLY . 21.3 tt0 -168.37 174.02 7.27 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 173.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.528 ' H ' ' HG2' ' A' ' 45' ' ' GLU . . . 157.44 -85.88 0.13 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.687 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -103.88 4.25 34.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.025 0.441 . . . . 0.0 111.061 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.77 111.92 0.89 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.181 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.509 ' O ' HD13 ' A' ' 53' ' ' LEU . 64.5 mttt -59.47 -57.8 11.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.343 0.592 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.2 m -58.64 -35.65 72.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.961 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -63.91 -45.78 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.929 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.37 -29.58 67.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.067 -178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 49' ' ' LYS . 9.9 mp -73.86 -47.38 38.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.715 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -65.44 -37.06 85.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.774 -175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.51 ' HB1' ' H ' ' A' ' 32' ' ' ARG . . . -60.23 -40.91 91.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.398 0.618 . . . . 0.0 110.389 176.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.8 t90 -65.74 -43.35 89.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.557 -179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 69' ' ' TYR . 55.6 t -62.24 -47.83 91.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.356 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.13 79.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.201 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.4 tm0? -61.76 -45.43 93.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.977 0.418 . . . . 0.0 110.079 177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.35 -39.47 89.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.061 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.9 mt -58.27 -48.95 78.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.212 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.49 -23.44 61.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.157 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.35 -8.94 58.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.099 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.09 21.73 27.04 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.262 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -104.17 178.42 4.56 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' HB3' ' H ' ' A' ' 85' ' ' GLU . 16.4 t-20 -102.89 134.41 46.36 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -153.71 135.28 14.34 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.984 0.421 . . . . 0.0 111.663 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -139.37 142.78 37.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 177.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.62 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.7 p90 -116.65 132.14 56.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.789 177.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.8 mt -131.47 117.65 36.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.269 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.757 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 21.0 p-10 -104.42 109.51 21.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.3 56.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.662 -170.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.14 -3.95 50.92 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.472 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 42.4 t -133.33 -30.4 1.31 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.875 0.369 . . . . 0.0 110.947 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.41 ' HB2' ' HE2' ' A' ' 75' ' ' MET . 63.8 mtm -133.81 144.06 50.2 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.744 -176.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.59 163.13 16.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.629 2.219 . . . . 0.0 112.046 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.0 tp -79.91 143.56 34.14 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 33.2 p -132.83 157.65 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.873 0.368 . . . . 0.0 110.933 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -75.05 -12.37 60.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.13 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.74 -25.87 66.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.777 176.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.498 ' HB1' HD21 ' A' ' 87' ' ' LEU . . . -61.53 -17.39 54.56 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.822 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -62.84 -24.2 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.07 -32.29 56.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.53 120.26 26.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' H ' ' HB3' ' A' ' 66' ' ' ASN . 11.8 pt-20 -73.29 -39.93 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.951 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 36.6 m-85 -86.36 109.98 19.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD21 ' HB1' ' A' ' 81' ' ' ALA . 0.2 OUTLIER -121.75 121.06 36.41 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.064 0.459 . . . . 0.0 110.624 -177.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.82 120.37 41.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.439 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.0 t -115.31 120.4 64.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.898 0.38 . . . . 0.0 110.813 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.757 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.9 t70 -93.02 127.13 38.43 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.212 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 62.75 65.5 0.82 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.428 0.632 . . . . 0.0 111.4 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.504 HG21 ' HB3' ' A' ' 120' ' ' LEU . 24.7 t -65.44 -32.74 59.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.958 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.92 -10.32 52.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.607 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -2.48 58.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.695 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 89.3 mt -82.42 135.59 35.12 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -93.3 -110.62 2.04 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.894 -175.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -95.17 -67.44 0.85 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -170.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.33 -36.3 82.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.02 0.438 . . . . 0.0 110.809 -175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.4 mp0 -60.62 -41.11 94.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.594 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.562 ' HG3' HD22 ' A' ' 135' ' ' LEU . 7.4 tt0 -66.3 -41.63 89.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.79 87.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.691 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.21 -49.71 70.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.939 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 106' ' ' ILE . 51.2 tp -56.67 -38.24 71.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.225 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -56.91 -46.25 82.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.633 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -32.04 73.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.472 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 103' ' ' LEU . 70.0 mt -60.58 -49.76 83.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.429 176.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -59.47 -38.41 80.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.387 175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -62.58 -46.22 89.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.207 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -43.53 96.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.531 0.205 . . . . 0.0 110.917 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HD2' HD21 ' A' ' 118' ' ' LEU . 16.5 m-30 -64.15 -41.68 97.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.0 111.386 -178.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -60.3 -32.34 71.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.021 0.439 . . . . 0.0 110.598 175.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -76.69 -45.2 30.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.032 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.7 m -76.97 -43.97 32.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 111.357 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.11 -28.88 6.17 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 32.9 mtmt -89.33 -166.53 1.62 Allowed 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.706 -0.747 . . . . 0.0 110.353 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 85' ' ' GLU . . . 104.3 119.49 4.62 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 119.89 -1.147 . . . . 0.0 112.613 -177.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.606 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 7.1 m-85 -123.01 118.62 28.18 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.493 HD21 ' HD2' ' A' ' 110' ' ' PHE . 4.0 mm? -107.06 111.05 23.34 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.781 0.324 . . . . 0.0 111.211 -177.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 53' ' ' LEU . 54.0 tp -105.02 102.85 12.32 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HB3' HG21 ' A' ' 92' ' ' VAL . 70.5 mt -108.49 111.72 23.73 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.47 -175.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -107.78 116.5 4.87 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.541 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.65 179.04 6.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.58 -48.8 10.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.738 0.304 . . . . 0.0 111.065 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -118.6 -178.76 3.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.031 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 12.3 p -91.3 154.12 44.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -173.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 Cg_exo -67.87 -32.49 29.06 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.938 2.426 . . . . 0.0 112.838 -170.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -86.13 1.15 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.752 0.31 . . . . 0.0 110.759 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -113.38 -6.56 13.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.605 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 125' ' ' THR . 97.3 mt -94.92 158.12 15.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.226 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.44 86.68 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.114 0.483 . . . . 0.0 110.126 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.4 pt -129.12 172.17 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.119 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.416 ' HD3' HH11 ' A' ' 132' ' ' ARG . 51.6 mtt-85 -83.9 155.48 22.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.302 -176.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -54.79 -39.15 68.13 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.384 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.32 -44.53 80.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.875 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 100' ' ' GLN . 35.8 tp -79.93 -41.84 25.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.645 -178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -61.61 -37.13 82.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.529 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 16.7 p -69.34 -35.93 76.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.803 0.335 . . . . 0.0 111.284 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -75.89 -19.66 58.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 111.565 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.5 mmt -69.45 -21.11 63.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.972 0.415 . . . . 0.0 110.759 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.35 -16.91 64.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.532 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -74.15 -20.62 60.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 0.0 110.628 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.511 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 81.0 m -92.27 132.46 36.67 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.394 -176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -71.21 154.15 41.9 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.238 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 54.8 t -111.08 116.49 52.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.868 0.366 . . . . 0.0 110.567 -176.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.525 ' HB2' HG12 ' A' ' 41' ' ' VAL . 35.3 m-85 -113.93 121.84 45.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.265 174.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -93.13 122.56 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.393 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.33 -60.08 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 50.5 tttm 179.33 112.51 0.19 Allowed Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.054 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 3.7 Cg_exo . . . . . 0 C--O 1.25 1.113 0 C-N-CA 123.1 2.534 . . . . 0.0 111.949 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.258 0.552 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 153.95 74.75 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -131.15 104.26 6.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.858 0.361 . . . . 0.0 110.983 -168.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -118.07 88.75 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.271 0.558 . . . . 0.0 109.9 176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -100.43 83.93 2.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.701 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -135.46 80.92 1.86 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.565 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 178.7 144.57 0.13 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.834 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 p-80 -166.34 131.48 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m -94.68 156.56 16.35 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -125.91 -85.09 0.63 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.6 ttt 37.67 83.02 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.219 0.949 . . . . 0.0 112.717 176.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -130.35 138.09 50.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.079 0.466 . . . . 0.0 110.72 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -141.64 96.75 6.78 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.531 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.32 141.42 51.61 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.729 2.286 . . . . 0.0 111.66 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 p -85.12 99.38 11.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.862 0.363 . . . . 0.0 110.8 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -88.49 61.73 6.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 0.0 110.382 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -175.27 98.4 0.08 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.279 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -171.75 169.17 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.979 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 27.2 t80 -149.46 -70.07 0.2 Allowed 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.286 -1.375 . . . . 0.0 107.286 173.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.979 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 14.9 mt -119.13 124.19 46.25 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.903 1.681 . . . . 0.0 108.453 -20.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.83 7.51 55.37 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.704 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.2 m -69.88 -59.32 3.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.94 0.4 . . . . 0.0 110.498 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -136.25 168.31 19.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -112.74 30.12 7.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.748 0.309 . . . . 0.0 110.853 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.06 75.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.724 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.7 mt-10 -61.53 -43.48 98.78 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.305 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 58.8 tp -65.91 -42.0 90.71 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.287 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.96 -38.72 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.183 0.516 . . . . 0.0 110.496 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -70.27 -30.92 68.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.539 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 26' ' ' GLU . 39.1 t -64.94 -37.47 80.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.034 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.84 100.0 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.559 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.2 22.16 5.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.682 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CG ' ' H ' ' A' ' 34' ' ' LYS . 6.0 t-80 69.17 -171.05 0.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.372 176.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 33' ' ' HIS . 89.6 mttt -106.09 -168.93 1.5 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.619 -173.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -160.08 -174.49 4.58 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.853 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.18 -167.76 4.31 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 121.422 -0.418 . . . . 0.0 113.286 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -81.73 -65.84 0.96 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.592 -0.357 . . . . 0.0 111.212 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HB3' ' HA ' ' A' ' 142' ' ' CYS . 90.7 m-85 -100.87 94.77 6.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.28 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' A' ' 143' ' ' LEU . 45.2 mm -126.23 124.22 65.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.018 0.437 . . . . 0.0 110.9 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -113.38 125.07 53.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.028 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.553 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 27.8 m -122.3 157.57 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.764 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -82.69 -85.98 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.9 0.381 . . . . 0.0 111.88 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.6 177.37 51.9 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.831 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 44.61 37.09 1.99 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -61.6 -63.1 1.38 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.24 -65.93 2.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.586 175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.31 107.18 0.69 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.04 -135.65 1.86 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.771 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.655 ' HG2' ' H ' ' A' ' 50' ' ' SER . 83.2 tttt -170.5 -171.81 1.13 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.655 ' H ' ' HG2' ' A' ' 49' ' ' LYS . 8.9 m -74.84 68.14 1.71 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.818 0.818 . . . . 0.0 109.575 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -59.38 -45.65 90.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.962 -171.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.0 tp -76.07 -30.73 58.45 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.749 -175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 119' ' ' LEU . 8.5 mp -64.86 -55.96 16.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.388 . . . . 0.0 111.918 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -63.43 -39.25 93.98 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.213 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.07 95.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.885 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.56 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 41.9 t90 -60.36 -41.23 93.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.917 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 69' ' ' TYR . 60.5 t -59.08 -49.02 84.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.349 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 62' ' ' GLU . . . -61.67 -37.1 82.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.206 -177.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.28 -41.9 99.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.637 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -36.47 82.34 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.346 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 93.7 mt -60.84 -36.59 79.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.83 177.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 58' ' ' ALA . 49.6 mt-10 -59.98 -35.3 74.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.583 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.42 5.74 11.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.32 19.35 71.99 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.06 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' CB ' ' HE2' ' A' ' 86' ' ' TYR . 67.3 mmtt -99.08 157.54 16.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -91.97 133.86 35.32 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.911 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' CB ' HG13 ' A' ' 57' ' ' VAL . . . -156.23 149.3 24.25 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.637 -178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.06 129.55 17.93 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.956 0.407 . . . . 0.0 111.45 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HB3' HG21 ' A' ' 57' ' ' VAL . 37.8 p90 -103.77 119.53 39.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.0 mt -106.94 114.85 47.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.738 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.503 ' HA ' ' HB2' ' A' ' 90' ' ' ASP . 49.1 t0 -85.94 107.96 17.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.041 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.0 -10.88 15.47 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.54 -3.52 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.4 t -134.69 -25.0 1.48 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.846 0.355 . . . . 0.0 111.328 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.4 mtm -136.4 144.56 48.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.473 -176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -89.36 160.89 5.55 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 122.581 2.187 . . . . 0.0 111.835 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB3' ' HG3' ' A' ' 99' ' ' GLU . 36.7 tp -79.27 142.56 36.07 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 p -145.27 -179.36 6.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 111.428 -172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -70.02 -17.7 63.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.136 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.83 -26.02 57.35 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.42 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.12 -22.97 67.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.689 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.503 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.2 m-85 -78.22 -13.64 59.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.286 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -89.02 -21.68 23.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.261 0.553 . . . . 0.0 110.813 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.73 134.8 33.6 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.401 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -69.25 -44.79 71.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.778 173.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.724 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 69.7 m-85 -107.89 123.48 48.66 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.644 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.5 127.28 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.278 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -133.8 134.72 43.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.68 174.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 92' ' ' VAL . 48.2 t -120.19 118.52 57.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 -176.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.506 ' HB3' ' NE2' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -80.54 127.12 32.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.346 174.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.506 ' NE2' ' HB3' ' A' ' 90' ' ' ASP . 2.4 mp0 66.85 54.37 0.8 Allowed 'General case' 0 CA--C 1.53 0.2 0 O-C-N 123.532 0.52 . . . . 0.0 111.05 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.577 HG22 ' HB ' ' A' ' 89' ' ' VAL . 47.4 t -57.57 -32.26 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.424 -177.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.702 ' HB2' ' HA ' ' A' ' 123' ' ' GLU . 22.0 tt0 -60.98 -18.55 58.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.942 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 25.3 mmmt -99.55 10.63 41.02 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -170.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.5 152.47 34.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 111.299 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -102.57 -151.96 23.85 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.92 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -73.1 -52.44 14.26 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -174.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.16 -34.82 77.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.521 ' HG3' ' HB3' ' A' ' 77' ' ' LEU . 17.9 mp0 -59.76 -41.61 91.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.266 175.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -61.61 -46.2 90.84 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.49 94.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.076 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' O ' HG13 ' A' ' 106' ' ' ILE . 0.8 OUTLIER -68.77 -45.65 70.82 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 178.744 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.543 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -54.62 -45.89 73.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.052 175.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.446 ' HE1' ' HE ' ' A' ' 138' ' ' ARG . 43.5 t80 -56.08 -47.71 77.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.703 174.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.503 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 70.7 m -59.99 -30.92 69.45 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.06 177.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.543 HD12 HD22 ' A' ' 103' ' ' LEU . 76.1 mt -67.09 -44.4 88.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.451 174.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -59.73 -42.07 92.31 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.116 0.484 . . . . 0.0 110.1 173.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 7.6 t30 -61.18 -38.52 86.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.228 177.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -63.82 -45.05 91.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.452 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -62.42 -43.83 97.89 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.051 0.453 . . . . 0.0 110.612 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -72.13 -32.7 67.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.425 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.4 OUTLIER -69.78 -37.35 76.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.32 -178.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -100.23 -37.41 8.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.054 -174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.12 25.59 59.36 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -170.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -131.05 173.38 11.07 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 -176.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.54 160.64 33.53 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.141 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.724 ' HB2' ' HD1' ' A' ' 86' ' ' TYR . 64.0 m-85 -134.54 150.39 50.75 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 37.0 tp -127.54 158.3 37.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.709 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.73 ' HG ' ' HG ' ' A' ' 53' ' ' LEU . 33.2 tp -156.2 117.39 3.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.013 174.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.9 mt -108.39 149.72 28.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.197 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -166.74 162.95 36.66 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.277 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.465 ' HB3' ' H ' ' A' ' 91' ' ' GLN . 21.1 t 63.89 79.5 0.26 Allowed 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.3 0.571 . . . . 0.0 111.228 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.702 ' HA ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 pt-20 -169.51 171.28 7.73 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.881 176.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 125' ' ' THR . 0.1 OUTLIER -73.87 -70.63 0.37 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.171 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.466 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -173.18 151.12 2.02 Favored Pre-proline 0 N--CA 1.465 0.275 0 C-N-CA 123.198 0.599 . . . . 0.0 109.608 172.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -67.08 -25.01 44.27 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.614 2.209 . . . . 0.0 112.468 -176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -93.44 -15.82 25.21 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.597 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -103.87 -24.23 13.3 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.108 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 125' ' ' THR . 83.6 mt -68.73 140.94 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.761 0.315 . . . . 0.0 110.69 176.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.67 79.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.19 0.519 . . . . 0.0 109.723 177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.4 pt -112.06 -179.04 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.349 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.539 ' HE ' ' HB3' ' A' ' 134' ' ' ASP . 46.5 ttp180 -65.42 134.59 53.8 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -54.31 -34.46 61.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.91 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.539 ' HB3' ' HE ' ' A' ' 132' ' ' ARG . 2.4 t70 -64.0 -35.67 81.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.038 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.9 tp -81.43 -31.42 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.004 -176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 46.9 ttm-85 -62.74 -37.03 84.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.979 -176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -74.47 -30.6 61.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.338 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.549 ' HA ' ' CE2' ' A' ' 141' ' ' TYR . 38.9 mmt180 -69.3 -27.1 65.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.218 0.533 . . . . 0.0 110.235 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.0 mmt -73.7 -18.38 61.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.946 176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.06 70.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.428 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.549 ' CE2' ' HA ' ' A' ' 138' ' ' ARG . 29.5 p90 -95.6 16.12 18.07 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.251 0.548 . . . . 0.0 111.197 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 42.4 t -103.57 123.96 47.91 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 172.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.547 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.9 mp -67.54 154.28 41.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.883 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 67.0 t -120.13 116.99 52.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.517 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 63.8 m-85 -123.37 117.43 25.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.277 175.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -86.41 115.73 24.11 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.444 ' CG2' ' HB ' ' A' ' 41' ' ' VAL . 39.4 t -71.73 88.08 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.089 0.471 . . . . 0.0 111.404 -173.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -179.0 92.61 0.21 Allowed Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.643 174.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 123.218 2.612 . . . . 0.0 112.524 -179.585 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.3 ttm . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.29 91.4 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.473 -0.87 . . . . 0.0 112.213 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -76.07 97.46 4.06 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -96.47 151.24 19.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -143.89 142.7 30.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.39 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -80.02 160.93 25.69 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.99 177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -106.19 159.69 15.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.206 175.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -59.36 150.37 26.44 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.743 0.652 . . . . 0.0 111.696 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.4 p -91.99 174.05 7.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.594 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.645 ' CE1' ' HB3' ' A' ' 12' ' ' ASP . 21.7 t-80 -119.73 -68.16 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.35 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.5 mtt 58.23 84.38 0.1 Allowed 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.645 0.591 . . . . 0.0 111.477 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.645 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 8.5 p-10 -94.12 159.59 15.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.327 177.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.52 135.07 28.33 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.896 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.92 160.29 44.88 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.63 2.22 . . . . 0.0 111.758 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -122.25 100.55 7.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.488 . . . . 0.0 110.549 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -93.78 -172.68 2.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.963 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 66.8 74.73 0.33 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.518 0.675 . . . . 0.0 110.465 177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.554 ' HD3' ' HG ' ' A' ' 20' ' ' LEU . 4.9 tppp? -167.0 121.35 1.03 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.685 -177.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.582 ' CB ' ' HA ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -126.69 -56.73 1.37 Allowed 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.374 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HA ' ' CB ' ' A' ' 19' ' ' PHE . 11.5 mt -107.84 -33.87 7.11 Favored 'General case' 0 C--N 1.344 0.349 0 C-N-CA 124.573 1.149 . . . . 0.0 110.414 -12.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.38 -84.01 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.169 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.7 p -84.39 147.29 27.22 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 50.41 86.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 123.947 0.899 . . . . 0.0 111.955 -175.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -98.13 52.04 1.04 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 122.106 0.955 . . . . 0.0 108.642 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.13 67.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.506 -1.224 . . . . 0.0 111.867 -174.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.09 -40.22 92.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.982 0.42 . . . . 0.0 110.391 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -68.67 -35.71 77.58 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.183 177.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.0 t -65.25 -35.32 75.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.619 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.2 -29.39 70.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.313 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 27' ' ' LEU . 79.4 t -66.83 -33.73 65.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.062 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 32' ' ' ARG . 89.2 mt -62.09 173.25 1.16 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.649 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 97.8 mtt180 72.45 84.87 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.069 -174.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -55.02 136.92 47.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.911 -1.041 . . . . 0.0 112.191 -177.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' LYS . 2.5 mptp? -94.8 175.45 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.537 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -110.78 167.56 10.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.654 0.264 . . . . 0.0 111.574 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.473 ' HA3' HG13 ' A' ' 39' ' ' ILE . . . 108.45 158.04 19.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.438 173.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.518 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 45.4 tt0 -114.82 -57.7 2.23 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 19.4 m-85 -108.04 96.84 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.029 173.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.473 HG13 ' HA3' ' A' ' 36' ' ' GLY . 47.0 mm -128.14 132.54 68.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 111.427 -174.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.661 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 54.8 t80 -111.23 128.7 56.01 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.036 172.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.453 HG12 ' HB2' ' A' ' 145' ' ' TYR . 27.6 m -122.31 146.67 27.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.594 ' HA ' ' O ' ' A' ' 122' ' ' SER . 7.7 p-90 -136.46 -85.22 0.35 Allowed 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.503 -179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 148' ' ' LYS . . . 66.48 -133.19 32.78 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.3 -174.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 179.28 -81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 59.11 22.12 10.2 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.704 0.764 . . . . 0.0 110.873 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 85.03 -56.48 5.0 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.889 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.51 88.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.591 0.356 . . . . 0.0 110.335 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.21 35.7 1.87 Allowed Glycine 0 CA--C 1.513 -0.078 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.646 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.667 ' HD2' ' OD1' ' A' ' 90' ' ' ASP . 26.4 pttt -61.94 -46.27 90.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.851 -0.674 . . . . 0.0 112.5 -173.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.579 ' N ' ' HG3' ' A' ' 49' ' ' LYS . 7.9 p -94.95 15.58 18.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -167.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -63.75 -58.75 5.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.999 0.428 . . . . 0.0 110.651 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.99 -35.01 57.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' CD1' ' HB1' ' A' ' 88' ' ' ALA . 13.1 tp -58.11 -51.94 67.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -71.71 -45.11 62.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.05 99.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.518 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -59.4 -43.82 92.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 69' ' ' TYR . 68.1 t -69.04 -54.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.005 -177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.89 73.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.106 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -43.56 93.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.944 177.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.16 -35.05 73.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.774 -178.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.22 -50.1 75.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.447 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.54 -6.92 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 -7.33 59.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.819 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.98 27.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.426 -0.892 . . . . 0.0 112.203 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -111.41 172.3 6.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 52.0 t30 -104.27 133.29 49.44 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.74 150.39 28.47 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.038 -174.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.4 149.29 20.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.789 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB3' HG21 ' A' ' 57' ' ' VAL . 48.2 p90 -125.38 142.77 51.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.845 0.355 . . . . 0.0 110.255 177.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.518 HG13 HD12 ' A' ' 77' ' ' LEU . 38.4 mm -122.48 113.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.324 178.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 1.005 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.2 m-20 -89.08 94.47 9.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.466 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -66.29 -14.38 61.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -174.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.77 -8.03 59.65 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.688 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.4 m -135.47 -25.48 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.891 0.376 . . . . 0.0 111.919 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.492 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 76.3 mtm -134.13 151.93 77.43 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -172.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -81.93 160.8 18.51 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.576 2.184 . . . . 0.0 112.134 176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 70' ' ' ILE . 36.4 tp -91.22 144.32 25.74 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.5 p -135.26 174.27 10.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.798 0.333 . . . . 0.0 111.367 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -79.2 -13.05 59.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.586 -174.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.42 -25.01 58.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.433 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.74 -27.79 63.33 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.491 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -72.98 -14.28 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.671 0.248 . . . . 0.0 111.671 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -82.6 -29.38 30.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -177.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -88.31 128.93 35.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.547 -175.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -72.75 -32.92 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.25 0.548 . . . . 0.0 110.08 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.5 m-85 -106.64 93.41 4.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.299 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -107.7 130.36 54.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.088 0.47 . . . . 0.0 110.334 -174.182 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' CD1' ' A' ' 53' ' ' LEU . . . -116.27 132.56 56.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.329 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.517 HG21 HD21 ' A' ' 103' ' ' LEU . 48.3 t -120.94 129.27 75.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.061 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 1.005 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 12.9 t70 -106.56 135.12 48.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.796 177.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.501 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 2.1 mp0 49.86 76.4 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 176.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.09 -18.85 24.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.527 0.679 . . . . 0.0 110.005 175.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.785 ' HB2' HD22 ' A' ' 129' ' ' LEU . 6.1 tm-20 -74.07 -25.15 59.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.229 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.6 mmmt -83.81 1.08 44.73 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 84.0 mt -84.5 149.08 26.18 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -88.39 -93.45 1.04 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.727 -177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -118.57 -70.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.963 0.411 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -65.43 -34.31 77.99 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.068 -173.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.7 mp0 -58.02 -42.22 84.82 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.925 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -72.23 -30.37 64.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.99 -39.97 79.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.082 0.468 . . . . 0.0 110.126 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 2.1 tm? -63.57 -48.44 77.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.257 175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.517 HD21 HG21 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -54.95 -47.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.058 177.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -57.69 -45.29 85.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.84 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.1 t -58.08 -37.2 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.588 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 103' ' ' LEU . 75.3 mt -59.03 -50.4 79.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.347 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.9 -42.19 98.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.768 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.12 -43.64 91.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.693 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -48.58 66.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.065 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.462 ' HB3' ' HZ ' ' A' ' 38' ' ' PHE . 2.3 m-85 -66.75 -35.12 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -70.59 -26.46 63.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.998 0.428 . . . . 0.0 110.305 177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -81.95 -44.26 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.491 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 16.3 t -78.68 -43.17 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.634 0.254 . . . . 0.0 110.694 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 108.38 -31.61 7.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.348 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.468 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 67.7 tttt -97.03 172.55 7.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.468 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 117.89 137.91 5.88 Favored Glycine 0 C--N 1.313 -0.7 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.308 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 19.6 m-85 -109.28 131.54 54.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.78 0.324 . . . . 0.0 110.287 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.87 121.42 21.73 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.184 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 88' ' ' ALA . 56.1 tp -115.21 105.68 13.18 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.398 176.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.8 mp -100.76 118.32 36.62 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.056 0.455 . . . . 0.0 110.011 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 90' ' ' ASP . . . -116.9 134.26 11.18 Favored Glycine 0 N--CA 1.439 -1.103 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.46 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.594 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 11.2 t -152.76 152.42 31.64 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -78.8 7.63 6.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.009 0.433 . . . . 0.0 110.889 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.499 ' HB2' HD21 ' A' ' 129' ' ' LEU . 52.5 m-85 -139.67 174.73 10.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.623 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.582 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 82.3 p -88.45 155.51 51.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.661 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 Cg_endo -69.0 -15.57 40.04 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.536 2.158 . . . . 0.0 112.281 -176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -89.49 -5.23 57.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.453 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 125' ' ' THR . 19.1 pt20 -120.03 2.54 10.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.773 0.32 . . . . 0.0 110.746 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.785 HD22 ' HB2' ' A' ' 93' ' ' GLU . 81.7 mt -82.79 143.69 30.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.431 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.8 t -83.8 86.8 2.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.333 0.587 . . . . 0.0 109.686 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.644 ' HB ' HD23 ' A' ' 135' ' ' LEU . 17.8 pt -133.43 168.93 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.446 -178.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -64.49 148.68 50.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.481 -177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.84 -54.59 45.34 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -173.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.638 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 10.4 t70 -66.56 -38.82 87.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.829 0.347 . . . . 0.0 110.152 -177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.644 HD23 ' HB ' ' A' ' 131' ' ' ILE . 41.1 tp -56.74 -48.8 76.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.245 174.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' HB2' HG13 ' A' ' 131' ' ' ILE . 74.6 ttt180 -60.01 -27.93 67.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.774 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.3 m -76.32 -36.44 58.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.686 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 27.1 mmt180 -70.99 -18.89 62.59 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.945 0.402 . . . . 0.0 110.709 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 92.4 mmm -64.16 -18.7 64.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.911 178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -82.05 4.79 21.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.115 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -94.13 5.27 52.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 28.3 p -124.71 146.13 49.32 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.02 0.438 . . . . 0.0 109.976 177.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.447 ' HB2' HD13 ' A' ' 39' ' ' ILE . 6.1 mp -80.15 154.62 27.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.081 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 119.44 60.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 121.165 0.507 . . . . 0.0 110.887 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.453 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.0 m-30 -97.87 118.81 35.27 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.235 175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -93.94 113.81 25.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.582 -176.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.499 HG12 ' HG3' ' A' ' 148' ' ' LYS . 43.3 t -87.4 -66.78 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.054 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.499 ' HG3' HG12 ' A' ' 147' ' ' VAL . 99.1 mttt -138.86 116.6 8.99 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.032 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 13.3 Cg_endo . . . . . 0 C--O 1.248 0.996 0 C-N-CA 122.987 2.458 . . . . 0.0 111.799 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.84 0.352 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.8 35.08 84.51 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.495 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.73 122.13 14.56 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -129.47 145.9 51.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.464 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -156.01 142.5 18.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -149.25 137.36 20.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.832 0.348 . . . . 0.0 110.905 -175.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -122.81 92.51 3.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.418 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -142.55 90.47 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -109.55 -82.97 0.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.614 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -146.3 128.53 15.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.058 0.456 . . . . 0.0 111.177 -174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.0 mtt -107.37 104.13 13.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 173.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -92.38 141.74 28.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.271 0.558 . . . . 0.0 111.094 -173.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 p90 -140.96 97.84 6.99 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.239 174.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 13' ' ' TYR . 31.4 Cg_endo -63.92 147.68 91.95 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.634 2.223 . . . . 0.0 111.876 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.1 m -69.0 106.01 2.61 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.83 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -76.66 170.0 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.899 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.07 123.82 19.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.12 0.486 . . . . 0.0 110.845 -178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -83.48 156.83 22.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.276 -174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.052 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 96.0 m-85 -124.13 -65.82 1.03 Allowed 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 106.835 -1.542 . . . . 0.0 106.835 175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.052 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 22.2 mt -109.71 168.93 9.05 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 125.35 1.46 . . . . 0.0 108.78 -19.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.37 -54.33 30.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.882 -175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -157.92 -174.26 4.76 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -132.99 126.09 31.19 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.954 0.406 . . . . 0.0 110.246 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -84.71 -2.63 57.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.452 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.65 -38.16 59.86 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.085 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 mt-10 -60.36 -41.97 94.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.118 0.485 . . . . 0.0 110.607 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 64.0 tp -71.06 -30.03 66.07 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.3 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.78 -36.93 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.199 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -67.36 -36.49 81.48 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.262 176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.725 HG12 ' HB2' ' A' ' 55' ' ' ALA . 97.3 t -69.61 -51.47 41.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.91 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 ' HB1' ' A' ' 55' ' ' ALA . 97.3 mt -73.95 107.55 6.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.752 -175.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -104.36 -85.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 173.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -167.02 156.78 10.97 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.15 0.58 . . . . 0.0 109.901 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -78.25 173.57 12.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.206 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -148.89 -163.65 1.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.919 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.22 -164.04 4.66 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 121.484 -0.389 . . . . 0.0 113.5 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -84.33 -58.86 2.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.561 0.219 . . . . 0.0 111.553 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -100.05 92.12 5.1 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.034 0.445 . . . . 0.0 109.96 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' O ' HD12 ' A' ' 119' ' ' LEU . 49.3 mm -121.78 125.16 72.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.926 -175.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.685 ' CE2' ' HD3' ' A' ' 126' ' ' PRO . 28.7 t80 -105.73 126.75 52.53 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.302 171.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.565 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 26.7 m -121.01 138.03 52.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.55 178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -124.47 144.05 50.3 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.404 ' HA3' ' HB2' ' A' ' 47' ' ' ALA . . . -116.3 146.97 18.91 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.471 178.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -51.57 103.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 O-C-N 123.716 0.303 . . . . 0.0 110.951 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 43.56 31.78 0.47 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.293 1.037 . . . . 0.0 111.89 -173.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.56 107.3 3.15 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.025 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB2' ' HA3' ' A' ' 43' ' ' GLY . . . -80.7 68.69 7.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.999 0.428 . . . . 0.0 111.096 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.52 0.63 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -164.74 -174.12 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 122.758 0.423 . . . . 0.0 110.115 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' ' CB ' ' A' ' 90' ' ' ASP . 1.1 p -72.8 36.07 0.07 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.4 0.68 . . . . 0.0 112.588 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -63.07 -33.97 76.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.559 -176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -71.53 -43.09 67.05 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.034 0.445 . . . . 0.0 110.625 -177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 119' ' ' LEU . 8.3 mp -69.61 -37.15 76.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.681 -178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -62.72 -40.6 97.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.458 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.725 ' HB2' HG12 ' A' ' 30' ' ' VAL . . . -62.72 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.597 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.521 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 77.8 t90 -63.62 -41.74 98.25 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.576 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 53' ' ' LEU . 75.1 t -63.86 -47.49 90.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.631 177.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.68 95.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.867 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -37.92 75.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.74 178.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.95 -39.96 61.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.01 -48.07 80.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.191 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -70.14 -14.04 62.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.862 0.363 . . . . 0.0 111.202 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.44 59.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.607 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 17.17 39.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.238 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -117.88 174.45 6.18 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -102.61 134.55 45.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.1 0.476 . . . . 0.0 111.103 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.66 152.0 38.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.429 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB3' HD22 ' A' ' 87' ' ' LEU . . . -125.93 126.93 45.18 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.07 0.462 . . . . 0.0 111.497 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -99.97 113.64 26.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.536 176.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.7 mt -130.5 139.11 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 111.189 -177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.585 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 7.7 m-20 -108.11 108.8 20.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.67 64.03 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -103.75 17.26 24.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.135 0.493 . . . . 0.0 111.563 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.585 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 41.9 t -138.82 -38.33 0.51 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 109.768 178.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 65.5 mtm -129.96 142.95 47.15 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.503 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.73 154.58 34.59 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.281 1.987 . . . . 0.0 111.527 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.554 HD23 ' HB3' ' A' ' 102' ' ' LEU . 26.6 tp -77.01 142.3 39.98 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.3 p -134.73 172.79 12.47 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.16 0.505 . . . . 0.0 111.479 -171.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.14 -15.54 63.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.035 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.57 -25.02 64.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.123 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.21 -22.86 66.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.92 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -79.07 -13.9 59.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.971 0.415 . . . . 0.0 111.079 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -83.44 -25.97 30.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.196 0.522 . . . . 0.0 111.205 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 145.63 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.875 -177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -85.01 -25.25 27.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.274 176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HB3' ' CH2' ' A' ' 56' ' ' TRP . 14.6 m-85 -129.86 128.75 42.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.228 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -120.31 125.27 47.64 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.9 0.381 . . . . 0.0 111.923 -172.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.42 124.85 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.852 0.358 . . . . 0.0 111.103 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.6 t -130.31 119.7 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.29 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.551 ' CB ' ' HB3' ' A' ' 50' ' ' SER . 4.1 t0 -104.59 175.1 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 36.3 mt-30 56.64 34.83 25.18 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.397 0.679 . . . . 0.0 110.931 -179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 61.9 t -63.31 -12.96 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.566 0.698 . . . . 0.0 110.641 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 123' ' ' GLU . 7.1 tp10 -61.74 -20.07 63.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.212 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' A' ' 73' ' ' ALA . 1.5 mppt? -112.33 30.35 7.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -174.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 39.8 mt -61.22 134.49 57.05 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 0.0 111.799 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -99.69 -102.45 2.42 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.877 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.11 -63.71 1.09 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 122.642 -0.328 . . . . 0.0 111.617 -174.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -58.55 -37.43 75.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.315 0.579 . . . . 0.0 110.742 -176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.41 -37.8 82.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.799 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' OE1' ' HB ' ' A' ' 131' ' ' ILE . 41.7 mt-30 -64.81 -43.55 92.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.878 0.371 . . . . 0.0 110.928 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.03 92.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.554 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -71.39 -49.13 45.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.802 179.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.591 HD12 HD21 ' A' ' 135' ' ' LEU . 2.5 tm? -54.87 -45.21 74.58 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.713 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -52.86 -45.15 67.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.835 177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.6 t -68.7 -41.12 79.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.94 -51.01 65.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.74 176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.446 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -61.51 -42.87 99.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.766 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -62.54 -47.5 83.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.148 0.499 . . . . 0.0 110.796 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -67.53 -40.67 85.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.533 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -66.76 -34.78 78.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.579 0.228 . . . . 0.0 111.124 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 107' ' ' PHE . 33.0 mtm180 -72.78 -30.77 64.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.012 0.434 . . . . 0.0 111.244 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -77.34 -45.24 26.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.992 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.0 t -70.87 -35.71 72.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.58 178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 89.76 -13.89 63.12 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 75.2 tttt -125.95 175.04 7.98 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 86' ' ' TYR . . . 130.73 -16.6 5.32 Favored Glycine 0 C--O 1.223 -0.553 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 19.5 m-85 42.36 86.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 124.281 1.033 . . . . 0.0 112.615 176.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.6 tp -95.13 123.77 38.81 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.543 0.687 . . . . 0.0 110.487 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.521 ' CD2' ' HG ' ' A' ' 53' ' ' LEU . 40.0 tp -118.99 115.78 25.06 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.5 mt -116.57 141.05 48.69 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -140.29 143.27 13.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.669 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.1 p -150.24 -163.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 175.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.55 ' HG2' ' HG2' ' A' ' 93' ' ' GLU . 11.9 pt-20 -119.76 -23.22 6.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -170.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 125' ' ' THR . 28.2 m-85 -105.22 -85.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.894 178.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.3 OUTLIER -172.68 159.71 3.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.198 0.599 . . . . 0.0 109.734 179.5 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.685 ' HD3' ' CE2' ' A' ' 40' ' ' TYR . 37.0 Cg_endo -65.19 -27.53 56.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.59 2.193 . . . . 0.0 112.424 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.31 -5.12 59.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.112 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -104.93 -2.33 24.74 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.03 133.4 48.07 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.411 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.02 85.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.374 0.607 . . . . 0.0 109.856 177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.41 ' HB ' ' OE1' ' A' ' 100' ' ' GLN . 30.9 pt -142.53 -174.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' HA ' ' HD3' ' A' ' 132' ' ' ARG . 11.7 mmt180 -56.26 130.72 45.62 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.226 0.536 . . . . 0.0 110.701 175.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.554 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 1.3 pm0 -70.01 -29.88 67.06 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.983 -174.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.514 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 6.1 p-10 -73.5 -29.11 62.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 0.0 110.255 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 103' ' ' LEU . 5.6 tt -81.34 -41.3 22.25 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 177.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -66.68 -22.78 66.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.121 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.5 p -78.55 -28.91 46.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.237 -0.29 . . . . 0.0 111.095 176.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 32.5 mmt180 -72.28 -15.11 61.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.213 0.53 . . . . 0.0 110.032 177.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 88.0 mmm -62.94 -17.33 61.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.992 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.67 4.24 8.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -87.43 12.39 12.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 26.0 p -132.16 159.83 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 143' ' ' LEU . 6.3 mp -81.93 154.72 25.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.011 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 48.6 t -111.95 114.98 48.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.504 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 36.7 m-85 -118.12 144.38 45.7 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.143 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -106.83 117.37 33.88 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.285 0.565 . . . . 0.0 110.669 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.461 HG23 ' HB ' ' A' ' 41' ' ' VAL . 46.9 t -98.93 98.33 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 176.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.91 154.91 48.33 Favored Pre-proline 0 C--N 1.314 -0.955 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.215 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo . . . . . 0 C--O 1.252 1.2 0 C-N-CA 122.565 2.177 . . . . 0.0 110.708 171.443 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.482 1.161 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.28 132.84 2.5 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.859 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -168.75 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.882 0.372 . . . . 0.0 110.513 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -80.93 71.97 7.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.934 0.397 . . . . 0.0 110.756 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -80.83 74.65 7.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.461 0.648 . . . . 0.0 111.57 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -167.76 100.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.588 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -169.25 132.62 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.697 -176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -67.26 103.16 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.7 t -123.39 147.02 47.5 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -176.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -84.96 108.91 17.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.51 171.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.4 ptm -72.05 145.81 48.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.324 0.583 . . . . 0.0 111.334 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.29 -31.44 11.35 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 176.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.2 t80 66.1 88.84 0.11 Allowed Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.272 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -77.05 118.31 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.92 2.414 . . . . 0.0 111.065 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -89.06 92.72 9.33 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.86 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -138.21 139.51 39.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -98.99 172.51 7.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.112 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.936 ' HB2' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -118.07 142.12 47.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -178.124 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.645 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 65.2 t80 -173.24 81.58 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -174.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 18' ' ' LYS . 68.4 mt 45.61 -154.64 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 126.373 1.869 . . . . 0.0 113.246 11.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.53 -97.86 0.14 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.767 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.0 t -100.71 146.08 27.66 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.798 0.332 . . . . 0.0 110.246 179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' HG2' ' H ' ' A' ' 25' ' ' ALA . 41.4 tt0 -165.62 134.48 3.24 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -111.89 8.52 20.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.137 0.494 . . . . 0.0 110.759 -175.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' H ' ' HG2' ' A' ' 23' ' ' GLU . . . -54.19 -38.14 65.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.146 -176.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 30' ' ' VAL . 52.7 mp0 -60.61 -42.95 97.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.218 0.533 . . . . 0.0 111.294 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mm? -68.35 -33.81 74.96 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.588 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.73 -35.22 72.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -68.47 -27.16 65.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.208 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 26' ' ' GLU . 58.3 t -75.37 -34.99 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.841 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 55.1 mt -64.34 106.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.666 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -97.59 -86.06 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.125 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 -175.1 32.2 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 120.362 -0.535 . . . . 0.0 112.22 -176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.84 ' HG2' ' H ' ' A' ' 35' ' ' HIS . 80.3 tttt 61.96 -174.39 0.14 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 120.626 0.25 . . . . 0.0 111.201 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.84 ' H ' ' HG2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -169.2 -171.87 1.39 Allowed 'General case' 0 C--O 1.234 0.248 0 C-N-CA 123.128 0.571 . . . . 0.0 109.782 174.395 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.55 177.38 17.47 Favored Glycine 0 C--N 1.333 0.378 0 O-C-N 123.562 0.539 . . . . 0.0 114.064 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.4 mt-30 -71.26 -76.38 0.11 Allowed 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.495 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -94.77 103.15 15.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.448 -175.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.44 HG22 HG13 ' A' ' 41' ' ' VAL . 70.1 mt -135.52 132.95 52.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.066 0.46 . . . . 0.0 111.243 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 126' ' ' PRO . 52.2 t80 -106.05 122.56 46.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.434 172.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG13 HG22 ' A' ' 39' ' ' ILE . 11.0 m -123.39 110.73 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.265 0.555 . . . . 0.0 111.459 -179.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 9.7 p-90 -113.14 -45.23 3.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.844 179.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.587 ' HA3' ' O ' ' A' ' 46' ' ' GLY . . . 84.24 128.02 1.58 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.694 -178.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -66.56 -41.57 88.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.796 0.331 . . . . 0.0 111.148 -174.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' OE1' ' HE2' ' A' ' 148' ' ' LYS . 3.2 mp0 -97.7 13.45 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.986 0.422 . . . . 0.0 110.247 174.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.587 ' O ' ' HA3' ' A' ' 43' ' ' GLY . . . 100.61 -134.97 11.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 -177.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 75.0 -28.87 0.19 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.367 0.667 . . . . 0.0 112.694 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.26 -19.39 78.66 Favored Glycine 0 C--O 1.227 -0.306 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.459 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -55.62 102.94 0.08 Allowed 'General case' 0 C--O 1.238 0.475 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.3 m 67.22 -65.72 0.22 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 168.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.669 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 41.0 p-80 -59.94 -30.56 69.16 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -169.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 49.4 tp -71.4 -29.43 64.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 120.897 0.38 . . . . 0.0 110.904 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD23 ' HB1' ' A' ' 88' ' ' ALA . 7.8 mp -73.73 -34.28 64.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.831 -176.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.669 ' HG2' ' O ' ' A' ' 51' ' ' HIS . 13.6 pt20 -62.92 -35.92 81.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.299 -174.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.38 -26.78 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.43 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.7 t90 -84.72 -41.38 16.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.226 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.9 t -69.55 -51.18 44.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.802 -177.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.91 81.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.73 0.3 . . . . 0.0 111.598 -174.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -68.51 -42.02 79.17 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.38 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.006 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' HB3' ' A' ' 67' ' ' ALA . 24.2 mt -60.52 -50.1 74.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.381 178.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -78.05 -11.01 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.174 0.512 . . . . 0.0 111.159 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.93 -10.61 59.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.243 173.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.99 8.46 47.86 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.871 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -110.12 154.49 23.22 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 37.8 t30 -82.6 133.3 35.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.786 0.327 . . . . 0.0 110.216 -176.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HB3' ' HG ' ' A' ' 61' ' ' LEU . . . -151.96 148.36 27.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.521 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.81 146.66 22.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 47.7 p90 -119.06 139.6 51.47 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.8 mt -136.33 121.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.124 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' HB2' HE21 ' A' ' 91' ' ' GLN . 11.9 p-10 -106.76 109.79 21.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.843 0.83 . . . . 0.0 108.807 176.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.87 -32.46 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 113.981 -1.463 . . . . 0.0 114.227 -166.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.19 0.0 57.1 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.53 -0.868 . . . . 0.0 113.06 -173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.8 t -128.73 -28.58 2.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.097 0.475 . . . . 0.0 110.54 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.3 mtm -133.55 142.94 45.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.232 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.26 152.83 18.37 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.0 tp -88.04 143.4 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.348 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.0 p -135.11 160.13 39.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.907 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.475 ' O ' ' HD2' ' A' ' 82' ' ' PHE . 5.4 p-10 -73.2 -12.46 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.428 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.16 -24.55 67.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.033 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.69 -22.52 35.48 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.244 -0.434 . . . . 0.0 112.143 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' HD2' ' O ' ' A' ' 79' ' ' ASP . 76.7 m-85 -68.36 -13.13 62.06 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -78.03 -23.85 48.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.365 0.602 . . . . 0.0 111.125 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -91.05 148.51 22.34 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.539 -178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -92.65 -27.69 17.14 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.392 0.615 . . . . 0.0 109.784 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.501 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 8.3 m-85 -111.5 108.81 18.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.157 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.752 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -115.55 124.99 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.196 0.522 . . . . 0.0 110.965 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.559 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -114.5 109.36 18.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.885 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 41.7 t -111.85 117.67 55.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.124 0.487 . . . . 0.0 110.432 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -101.51 154.52 18.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.157 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.529 HE21 ' HB2' ' A' ' 71' ' ' ASP . 15.7 pt20 44.31 60.3 2.87 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 124.233 0.958 . . . . 0.0 112.359 -176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.905 HG21 HD22 ' A' ' 120' ' ' LEU . 43.0 t -67.17 -25.64 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.682 177.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.949 ' HB3' HD22 ' A' ' 129' ' ' LEU . 8.4 pt-20 -65.9 -10.63 40.39 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.649 -1.159 . . . . 0.0 111.67 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.455 ' CG ' ' HB2' ' A' ' 91' ' ' GLN . 58.8 mmtt -112.05 11.5 20.51 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.589 -175.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.63 142.87 57.85 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.867 0.365 . . . . 0.0 111.592 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -89.24 69.3 2.6 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.919 -0.658 . . . . 0.0 113.285 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.422 ' HB3' ' OE2' ' A' ' 98' ' ' GLU . 13.8 t30 59.1 -79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 173.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.422 ' OE2' ' HB3' ' A' ' 97' ' ' ASN . 2.6 mp0 -55.37 -37.5 67.61 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.243 0.544 . . . . 0.0 110.417 -178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -65.24 -28.21 69.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.922 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -71.27 -37.31 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.096 0.474 . . . . 0.0 109.759 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.59 79.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.149 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -64.11 -47.41 80.11 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.08 -45.61 75.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.325 176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HA ' HD21 ' A' ' 135' ' ' LEU . 61.0 t80 -55.39 -45.7 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.978 175.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.5 m -59.45 -37.12 77.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.091 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.36 -47.12 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.569 176.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.73 -42.84 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.66 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 10.6 t30 -63.65 -41.63 98.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.34 178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.31 -39.51 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.85 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.752 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.8 m-30 -72.21 -55.0 7.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.354 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 111' ' ' ARG . 4.4 mmp_? -68.91 -18.71 64.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.561 -174.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.66 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -67.87 -40.98 83.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.953 -178.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 p -96.01 -33.64 12.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.234 0.54 . . . . 0.0 110.928 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.14 -6.61 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -89.43 -164.35 1.14 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 114.989 -0.606 . . . . 0.0 110.628 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.482 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 106.14 121.84 4.88 Favored Glycine 0 N--CA 1.438 -1.175 0 CA-C-N 115.379 -0.828 . . . . 0.0 113.142 173.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.501 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 85.1 m-85 -111.99 112.53 24.23 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 174.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.724 HD23 ' HE2' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -130.03 123.93 31.68 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.308 0.575 . . . . 0.0 110.347 -172.113 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 43.1 tp -121.33 114.05 20.78 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.628 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.905 HD22 HG21 ' A' ' 92' ' ' VAL . 97.4 mt -101.31 131.75 47.19 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.793 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -91.64 -106.41 1.49 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.405 174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.2 m 71.22 -176.21 0.19 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.843 0.457 . . . . 0.0 110.759 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -114.82 -19.24 11.09 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -170.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -118.68 -87.18 0.64 Allowed 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 119.515 -0.874 . . . . 0.0 113.059 -172.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.732 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -159.0 152.57 19.07 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 -178.757 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 40' ' ' TYR . 36.9 Cg_endo -66.37 -36.33 27.77 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.444 2.096 . . . . 0.0 113.156 -172.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -91.53 -8.94 46.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.112 -174.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -108.13 -2.71 19.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.692 -177.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.949 HD22 ' HB3' ' A' ' 93' ' ' GLU . 74.2 mt -63.86 165.96 7.95 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.46 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 25.6 t -76.86 81.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 109.724 178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.6 pt -135.16 168.38 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.383 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -92.18 171.27 9.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.233 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.91 -32.85 72.32 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.796 -173.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 15.1 m-20 -56.87 -38.78 73.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.731 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 104' ' ' PHE . 16.7 mt -82.1 -40.27 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.292 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.3 ttp180 -57.1 -36.0 70.1 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.814 0.34 . . . . 0.0 111.205 -175.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 8.9 p -70.47 -41.07 73.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 26.8 mmt180 -73.89 -24.46 59.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 111.396 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 25.1 mmt -65.7 -18.14 65.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.131 0.491 . . . . 0.0 111.138 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.0 -2.85 32.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.441 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.41 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 78.7 m-85 -100.39 11.8 38.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.1 p -122.57 154.08 38.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.915 0.388 . . . . 0.0 110.085 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.03 154.02 22.37 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.65 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 41.1 t -118.11 116.69 52.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.097 0.475 . . . . 0.0 109.757 -178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -113.18 118.95 36.14 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.742 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -90.57 113.16 25.1 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.552 ' H ' ' HA2' ' A' ' 43' ' ' GLY . 51.4 t -103.68 122.98 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.763 -175.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.504 ' HE2' ' OE1' ' A' ' 45' ' ' GLU . 15.6 ptpt -132.85 90.02 33.18 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.316 0.579 . . . . 0.0 110.248 174.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.412 ' HD3' HG12 ' A' ' 147' ' ' VAL . 61.4 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.89 2.393 . . . . 0.0 112.519 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.119 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.46 100.91 2.67 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.503 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -80.97 87.87 5.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -109.33 114.93 29.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.945 0.402 . . . . 0.0 109.941 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -166.48 113.04 0.84 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.908 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -156.74 124.88 5.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.799 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -153.92 134.25 13.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.648 0.261 . . . . 0.0 110.478 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.21 104.21 3.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.074 0.464 . . . . 0.0 110.01 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -144.28 89.72 2.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.23 -176.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -170.92 82.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.75 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' ASP . 24.8 ptt? -178.94 111.04 0.05 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.278 173.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' MET . 28.6 t70 178.4 99.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.286 174.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -131.91 81.3 63.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.848 0.356 . . . . 0.0 111.895 -176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -94.22 119.34 0.31 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.32 2.68 . . . . 0.0 110.98 170.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.5 t -130.29 92.7 3.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.176 0.512 . . . . 0.0 111.307 -175.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -167.81 115.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.998 174.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 18' ' ' LYS . 5.4 p-10 -83.66 -91.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.375 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' H ' ' CG ' ' A' ' 17' ' ' ASP . 80.1 mttt -152.64 140.18 19.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.21 0.529 . . . . 0.0 111.361 177.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.014 ' HB3' ' HG ' ' A' ' 20' ' ' LEU . 30.8 m-85 -137.81 162.18 34.63 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.801 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.014 ' HG ' ' HB3' ' A' ' 19' ' ' PHE . 2.8 mp -120.64 96.04 4.96 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.298 0.639 . . . . 0.0 109.629 -0.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.41 -95.92 0.2 Allowed Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.781 -0.724 . . . . 0.0 111.903 -176.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 t -176.5 152.75 1.08 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.919 0.39 . . . . 0.0 110.816 -178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -136.45 118.66 15.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.204 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 28' ' ' VAL . 28.8 p-10 -105.72 -12.82 15.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.905 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -44.05 87.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 111.094 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 59.9 tp -73.08 -43.9 61.22 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.414 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 24' ' ' ASN . 57.7 t -65.44 -33.07 61.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.466 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -56.93 -38.6 73.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.114 176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -74.19 -34.24 37.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.071 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 86.4 mt -60.38 107.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.069 -175.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.616 ' HD2' ' O ' ' A' ' 31' ' ' LEU . 4.1 mpt_? -127.57 -172.47 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.651 174.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -78.92 146.4 33.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.977 0.417 . . . . 0.0 110.894 -177.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -71.84 167.38 20.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.742 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 87.6 m-70 -122.36 -169.42 1.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.794 -176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.49 -162.02 20.13 Favored Glycine 0 C--N 1.332 0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 113.468 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 34.9 tt0 -82.71 -64.61 1.14 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.739 0.304 . . . . 0.0 111.192 -175.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -116.16 106.9 14.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.205 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.7 mt -137.28 137.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.992 0.425 . . . . 0.0 111.393 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' HE2' ' HB3' ' A' ' 42' ' ' TRP . 68.8 t80 -113.35 130.32 56.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.879 171.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.475 ' O ' ' HA2' ' A' ' 121' ' ' GLY . 29.5 m -114.61 137.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.136 175.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.403 ' HB3' ' HE2' ' A' ' 40' ' ' TYR . 27.5 p-90 -118.12 6.97 12.08 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.888 0.375 . . . . 0.0 111.018 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.04 83.4 0.13 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.684 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -88.14 88.29 7.59 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 174.427 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.499 ' H ' HG13 ' A' ' 147' ' ' VAL . 30.1 mt-10 71.38 -52.86 0.69 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.187 0.518 . . . . 0.0 110.093 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.53 -94.81 0.1 Allowed Glycine 0 N--CA 1.443 -0.866 0 N-CA-C 110.516 -1.034 . . . . 0.0 110.516 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.12 78.14 1.38 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 174.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.13 -96.49 2.09 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.944 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' HD2' ' A' ' 51' ' ' HIS . 32.1 tttm 174.47 109.38 0.02 OUTLIER 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.772 0.337 . . . . 0.0 111.367 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.9 OUTLIER 54.77 28.07 9.74 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 170.362 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.434 ' HD2' ' O ' ' A' ' 49' ' ' LYS . 17.0 m170 -63.04 -60.02 4.01 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 118.315 0.507 . . . . 0.0 111.284 -173.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.4 pp -78.02 -24.91 47.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.008 0.433 . . . . 0.0 110.649 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 ' HA ' ' A' ' 50' ' ' SER . 5.8 mp -69.98 -44.82 68.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.577 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -66.98 -36.56 82.46 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.912 0.387 . . . . 0.0 110.229 -176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.96 97.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.664 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.567 ' HD1' ' H ' ' A' ' 35' ' ' HIS . 57.2 t90 -59.3 -45.03 92.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.414 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG21 ' HB3' ' A' ' 69' ' ' TYR . 76.0 t -65.69 -48.98 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.476 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.358 . . . . 0.0 111.28 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -65.79 -38.99 90.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.099 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.92 -39.75 87.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.809 0.338 . . . . 0.0 110.435 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.62 -49.18 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.378 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -77.03 -11.43 59.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.172 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -81.5 -1.97 48.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 174.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.3 8.68 64.16 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.385 175.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -106.71 161.72 14.41 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 58.4 t30 -89.39 133.77 34.37 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.08 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -148.79 155.78 41.42 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 -177.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -153.06 138.37 17.51 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.674 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.59 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.7 p90 -108.97 130.38 55.46 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.6 mt -123.65 113.64 38.13 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-O 121.215 0.531 . . . . 0.0 110.135 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.587 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 17.9 m-20 -97.21 110.29 22.87 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.45 -25.19 49.94 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.25 33.54 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.142 0.496 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.587 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 42.2 t -156.88 -39.57 0.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.862 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.5 mtm -137.88 143.95 42.1 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.188 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -83.39 156.57 14.46 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.343 2.028 . . . . 0.0 112.392 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -75.21 143.51 43.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.561 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.17 163.63 32.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.791 0.329 . . . . 0.0 111.203 -174.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -71.09 -21.3 62.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.023 -177.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.33 -24.8 57.39 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.341 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.79 -25.35 66.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.01 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.66 -18.64 65.48 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.38 -18.45 36.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.184 0.516 . . . . 0.0 111.509 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.473 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -82.8 142.83 31.26 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.136 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -85.59 -35.1 21.24 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.73 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 10.9 m-85 -110.66 113.37 25.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.116 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.71 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.4 mm? -112.79 126.78 55.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.926 0.393 . . . . 0.0 111.275 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -122.68 124.23 42.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.04 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.24 114.81 45.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.05 0.452 . . . . 0.0 111.118 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -91.62 132.12 36.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.75 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.729 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 45.7 mt-30 62.22 41.79 10.17 Favored 'General case' 0 CA--C 1.526 0.054 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.568 -178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 p -56.56 -23.72 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.811 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.597 ' HG3' ' HD2' ' A' ' 94' ' ' LYS . 1.2 pt-20 -67.35 -18.32 65.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.775 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.729 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 21.6 mmmt -79.52 -8.86 59.44 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.705 0.288 . . . . 0.0 111.224 -174.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.687 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -71.11 141.12 50.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.682 -177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.48 -125.35 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.129 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -96.16 -53.34 3.67 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.048 0.451 . . . . 0.0 111.022 -176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.66 -36.34 83.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.131 -174.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.687 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 3.1 mp0 -65.16 -42.36 93.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -69.72 -18.36 63.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.754 0.311 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HA ' ' NH2' ' A' ' 132' ' ' ARG . . . -76.35 -42.03 46.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.0 109.642 173.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.8 -50.43 62.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.806 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 106' ' ' ILE . 0.4 OUTLIER -57.23 -46.06 83.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.768 -179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -56.02 -43.96 78.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.3 m -59.88 -36.23 76.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.943 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 61.9 mt -61.93 -45.49 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.121 175.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -58.3 -48.06 81.7 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.631 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.6 t30 -59.62 -48.52 81.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.66 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 29.0 ttt180 -57.27 -48.56 78.58 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.952 0.406 . . . . 0.0 110.886 177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 118' ' ' LEU . 10.7 m-30 -67.22 -51.06 57.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.667 -176.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -69.65 -27.8 65.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.106 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.631 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.9 OUTLIER -66.57 -40.0 88.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.231 0.539 . . . . 0.0 110.719 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.4 t -93.46 -23.58 18.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.115 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.61 18.39 66.14 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -175.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -124.37 174.37 7.79 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -173.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 85.17 150.33 12.71 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.478 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 38.8 m-85 -122.4 138.94 54.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -139.89 124.47 18.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.152 0.501 . . . . 0.0 110.715 -176.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 53' ' ' LEU . 51.7 tp -121.44 116.39 24.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.47 177.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 118' ' ' LEU . 77.5 mt -114.53 141.54 47.59 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.538 -177.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -148.35 131.74 3.91 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.456 -0.878 . . . . 0.0 112.607 178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 54.1 m -153.21 -87.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 173.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 122' ' ' SER . 15.1 pt-20 174.39 -171.4 0.05 Allowed 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.203 0.315 . . . . 0.0 110.598 177.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.492 ' O ' HG23 ' A' ' 125' ' ' THR . 28.5 m-85 62.38 -87.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.551 0.741 . . . . 0.0 111.556 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 124' ' ' TYR . 0.2 OUTLIER 174.4 155.46 0.31 Allowed Pre-proline 0 N--CA 1.466 0.369 0 C-N-CA 124.367 1.067 . . . . 0.0 109.055 -179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.598 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.4 Cg_exo -59.19 -24.78 75.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.55 2.167 . . . . 0.0 112.732 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.72 3.39 47.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.071 -177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -109.28 -29.16 8.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.201 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 125' ' ' THR . 94.5 mt -56.23 134.82 53.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.539 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.2 t -87.89 86.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.176 0.512 . . . . 0.0 110.01 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.2 pt -136.99 176.33 8.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.953 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 101' ' ' ALA . 15.5 ttp180 -59.82 126.28 26.95 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 136' ' ' ARG . 10.8 pt-20 -62.3 -23.43 66.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.944 -173.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -73.44 -30.93 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.231 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.426 ' O ' HD23 ' A' ' 135' ' ' LEU . 7.6 tt -83.39 -35.31 25.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' MET . 11.4 ttt180 -57.84 -37.98 74.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.651 -1.159 . . . . 0.0 111.248 -178.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 7.6 p -67.01 -29.73 69.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.304 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.535 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 12.5 mmt180 -76.98 -16.94 59.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.033 0.444 . . . . 0.0 110.224 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.598 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 17.8 mmt -65.78 -23.6 66.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.623 177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -79.46 -5.16 54.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.866 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 41.9 m-85 -94.06 6.42 48.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 63.7 m -115.48 147.28 40.81 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.909 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.19 155.57 40.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.954 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.1 115.81 49.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -125.51 162.6 24.53 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.635 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -156.07 159.04 38.76 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.087 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.499 HG13 ' H ' ' A' ' 45' ' ' GLU . 10.9 p -137.4 21.21 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 122.353 1.073 . . . . 0.0 108.927 176.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -94.67 161.3 29.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 114.572 -1.195 . . . . 0.0 109.901 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo . . . . . 0 C--O 1.251 1.132 0 C-N-CA 122.426 2.084 . . . . 0.0 111.996 174.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ppp? . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.74 167.48 26.43 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.541 -0.838 . . . . 0.0 112.123 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -154.99 117.15 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.022 0.439 . . . . 0.0 111.557 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -140.89 86.92 2.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.276 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.89 70.51 7.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.153 0.501 . . . . 0.0 109.915 -178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -81.52 143.32 32.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.234 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -159.12 97.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.234 174.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -114.0 104.99 12.69 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -125.89 107.43 10.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.207 0.527 . . . . 0.0 110.833 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -158.96 63.65 0.41 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -109.15 85.46 2.1 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.259 -174.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -131.26 133.1 45.09 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 171.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -124.92 91.55 49.19 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 120.74 0.305 . . . . 0.0 111.442 -172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -72.44 116.67 4.8 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.768 2.312 . . . . 0.0 111.122 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.1 p -149.29 102.56 3.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -136.85 100.78 4.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.799 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -169.96 129.42 0.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -143.85 115.37 8.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.174 0.511 . . . . 0.0 111.168 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.798 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 37.7 t80 -141.33 -59.59 0.49 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.798 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 46.7 mt -103.24 125.71 50.04 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 125.157 1.383 . . . . 0.0 108.346 -16.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' N ' ' HB3' ' A' ' 19' ' ' PHE . . . -135.95 122.14 2.64 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.533 -171.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 86.9 m -159.49 -85.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 22' ' ' THR . 25.9 mt-10 -163.02 -179.1 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.802 HD22 HG23 ' A' ' 28' ' ' VAL . 5.6 t30 -109.45 21.15 17.4 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.82 -46.42 87.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.317 -173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 30' ' ' VAL . 43.9 mt-10 -64.91 -40.06 94.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.711 0.291 . . . . 0.0 111.048 -176.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.8 tp -71.21 -39.22 71.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.802 HG23 HD22 ' A' ' 24' ' ' ASN . 91.8 t -67.15 -35.29 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.863 0.364 . . . . 0.0 110.662 176.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -59.29 -32.3 69.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 87.6 t -75.21 -44.93 42.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.09 130.48 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.336 -175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -130.39 -80.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 176.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -170.83 139.38 1.47 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 110.381 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -61.2 147.17 45.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.441 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' H ' ' HD1' ' A' ' 56' ' ' TRP . 14.0 m80 -119.32 -165.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.669 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' HA3' HD11 ' A' ' 39' ' ' ILE . . . -61.0 -173.52 1.06 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 114.618 0.607 . . . . 0.0 114.618 -176.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.46 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 51.7 tt0 -91.71 -45.95 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.429 -0.385 . . . . 0.0 111.124 -173.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 76.9 m-85 -125.54 89.6 3.07 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 145' ' ' TYR . 39.4 mm -117.94 129.67 73.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 120.971 0.415 . . . . 0.0 111.329 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.463 ' CD1' ' HB2' ' A' ' 120' ' ' LEU . 51.9 t80 -116.99 123.45 46.94 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.6 m -123.78 102.84 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.423 0.63 . . . . 0.0 111.049 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.6 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 65.0 p-90 -90.55 163.29 14.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.911 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.93 -158.49 27.67 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.143 -1.027 . . . . 0.0 113.0 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -96.92 155.41 16.79 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -56.94 -42.32 79.84 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 122.728 0.411 . . . . 0.0 111.347 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.61 -13.08 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.63 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.51 -41.32 9.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.93 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.11 -82.47 0.92 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.677 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt 71.13 136.2 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.419 0.688 . . . . 0.0 110.628 -177.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -78.02 4.23 12.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.768 -171.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -55.65 -47.41 76.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.997 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.436 HD11 ' CE1' ' A' ' 35' ' ' HIS . 54.8 tp -75.3 -27.83 59.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.007 0.432 . . . . 0.0 110.634 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' A' ' 90' ' ' ASP . 24.1 tp -67.21 -42.12 84.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.948 -177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -72.26 -33.78 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.04 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 32' ' ' ARG . . . -61.5 -36.32 80.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.123 0.487 . . . . 0.0 110.871 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.513 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 52.0 t90 -66.31 -34.51 78.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.411 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 69' ' ' TYR . 85.1 t -75.0 -48.98 30.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.997 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.35 85.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.513 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -61.79 -40.96 97.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.109 0.48 . . . . 0.0 110.025 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.99 -29.92 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.653 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 81.6 mt -63.68 -47.96 79.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.627 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -77.46 -9.5 58.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.256 0.55 . . . . 0.0 110.783 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.56 -16.25 60.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.152 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.446 ' C ' ' HD2' ' A' ' 65' ' ' LYS . . . 98.24 17.23 30.06 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 115.888 -0.597 . . . . 0.0 112.206 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HD2' ' C ' ' A' ' 64' ' ' GLY . 12.8 mptt -109.96 -176.25 2.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.085 0.469 . . . . 0.0 111.007 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 33.0 t-20 -101.01 133.26 45.78 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.158 177.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' TYR . . . -156.48 147.08 21.67 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -175.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.04 17.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.619 ' HB3' HG21 ' A' ' 57' ' ' VAL . 52.0 p90 -115.63 137.71 51.8 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.455 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 73.2 mt -125.58 122.22 61.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.225 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 5.8 m-20 -88.21 106.45 18.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.43 -18.3 38.12 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -173.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.42 19.03 21.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.807 0.337 . . . . 0.0 111.733 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 47.0 t -144.67 -36.0 0.33 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 68.0 mtm -130.69 144.87 55.17 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.624 -175.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -85.49 179.38 3.98 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.765 2.31 . . . . 0.0 112.59 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 99' ' ' GLU . 58.0 tp -99.51 144.45 28.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.341 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 22.8 p -127.1 155.92 42.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.55 -15.67 62.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.065 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -26.23 67.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.988 175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.83 -14.52 59.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.955 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -73.07 -24.14 60.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.155 178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -82.94 -28.02 30.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.582 -178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -70.43 139.9 51.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.361 -178.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -92.01 -25.42 18.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.276 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.424 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 35.6 m-85 -112.65 107.48 16.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.241 177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.472 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -109.0 120.4 42.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.04 0.448 . . . . 0.0 111.221 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -121.15 113.64 20.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.117 177.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.5 t -126.81 126.17 68.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 -177.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.538 ' HB2' HD22 ' A' ' 53' ' ' LEU . 34.2 t0 -105.96 162.94 13.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.831 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 61.94 36.77 15.54 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.719 0.637 . . . . 0.0 111.491 172.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.8 p -67.71 119.14 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.385 0.612 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 94' ' ' LYS . 8.5 pt-20 172.71 -32.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.461 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 93' ' ' GLU . 31.3 mmmt -76.03 -9.95 59.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.688 -175.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.6 mt -64.32 132.0 48.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.821 0.343 . . . . 0.0 110.44 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -88.92 1.79 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.878 -176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -131.48 -54.18 1.02 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.601 0.239 . . . . 0.0 111.135 -175.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -61.43 -43.64 98.52 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.331 0.586 . . . . 0.0 110.249 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.442 ' HA ' HD23 ' A' ' 77' ' ' LEU . 1.8 mp0 -63.91 -40.79 97.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.945 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -69.23 -35.12 75.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.79 -177.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.26 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.091 0.472 . . . . 0.0 110.454 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.08 -49.25 70.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.499 177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB3' HD11 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -56.12 -48.2 76.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.079 179.626 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -54.05 -44.15 70.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.198 0.523 . . . . 0.0 110.728 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -62.61 -34.48 77.1 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.326 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 75.5 mt -63.59 -42.37 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.42 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.439 ' CE2' HD12 ' A' ' 103' ' ' LEU . 31.5 m-85 -61.45 -41.13 96.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.052 177.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.689 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 12.2 t30 -64.86 -28.94 69.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.731 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 109' ' ' ARG . 14.9 ttt180 -75.48 -57.3 3.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.204 176.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.472 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 12.6 m-30 -62.38 -52.15 64.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.732 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.573 ' HG3' HH11 ' A' ' 111' ' ' ARG . 14.9 mmt85 -71.22 -17.71 62.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.663 -174.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.689 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.7 t-20 -60.06 -60.63 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.199 0.523 . . . . 0.0 110.711 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.7 t -97.6 -28.1 14.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.837 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.41 21.53 9.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.773 -176.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 37.3 ttpt -107.12 173.37 6.35 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.425 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 89.94 147.63 17.61 Favored Glycine 0 C--N 1.313 -0.725 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.163 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.513 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 38.1 m-85 -121.65 137.78 54.61 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.6 tp -138.22 140.51 39.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.36 0.6 . . . . 0.0 110.543 -177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.496 HD13 ' HB ' ' A' ' 39' ' ' ILE . 50.0 tp -143.95 114.8 7.76 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.579 178.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 80.4 mt -121.81 145.53 47.97 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.522 -177.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.25 169.74 23.24 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.204 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.1 m 75.2 176.51 0.22 Allowed 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.665 0.786 . . . . 0.0 112.131 176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.6 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 13.9 mm-40 64.66 -164.01 0.25 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.926 -178.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -107.75 -164.26 0.96 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.477 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 39.5 p -67.95 153.69 94.87 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.38 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.538 ' HA ' HD12 ' A' ' 129' ' ' LEU . 36.2 Cg_exo -59.43 -22.65 66.97 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.989 2.46 . . . . 0.0 112.333 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -68.42 -25.73 65.17 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.207 -178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -112.43 1.73 16.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.754 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 126' ' ' PRO . 61.2 mt -73.58 133.79 43.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.876 0.37 . . . . 0.0 111.135 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 47.4 t -94.12 91.12 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.39 0.614 . . . . 0.0 110.156 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HD22 ' A' ' 135' ' ' LEU . 21.0 pt -143.16 -174.03 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.168 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.617 ' HD2' ' OD2' ' A' ' 134' ' ' ASP . 4.7 tpp85 -54.38 123.16 12.11 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 171.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.84 -20.75 64.3 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.111 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.617 ' OD2' ' HD2' ' A' ' 132' ' ' ARG . 10.0 m-20 -69.24 -35.13 75.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 174.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 103' ' ' LEU . 6.3 tt -82.35 -35.67 27.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.949 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -55.4 -38.23 68.65 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.065 -176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 3.1 p -70.6 -35.19 72.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.908 0.385 . . . . 0.0 111.16 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -68.92 -18.28 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.169 0.509 . . . . 0.0 110.537 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.482 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 87.0 mmm -77.65 -18.61 56.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.408 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.68 -0.24 54.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.985 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.517 ' HB2' ' NH1' ' A' ' 111' ' ' ARG . 85.4 m-85 -92.7 -2.93 55.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -176.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 25.5 p -106.15 173.93 6.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.204 0.526 . . . . 0.0 110.966 -175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.83 153.87 21.96 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.112 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -129.61 118.58 45.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.269 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.537 ' CE1' HD12 ' A' ' 39' ' ' ILE . 18.6 m-85 -103.16 120.07 40.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.649 176.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.58 115.1 16.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 14.7 p -74.61 131.31 35.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.264 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 148' ' ' LYS . 50.4 tptt 60.31 85.15 0.19 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.899 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 C--O 1.253 1.229 0 C-N-CA 122.946 2.431 . . . . 0.0 112.001 -178.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.94 0.4 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -161.44 50.11 0.35 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.571 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -84.1 108.84 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 110.588 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -141.24 178.26 7.52 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.144 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -132.64 90.62 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 122.275 1.036 . . . . 0.0 110.119 172.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -153.62 138.92 17.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.921 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -111.35 153.07 26.54 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -87.1 63.73 8.03 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.311 0.576 . . . . 0.0 109.568 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.3 m -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.453 0.644 . . . . 0.0 111.253 -176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.876 ' HB3' ' HB3' ' A' ' 76' ' ' PRO . 15.3 m80 -145.99 86.74 1.72 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 175.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.2 ttt -139.72 -65.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -172.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -83.11 94.49 7.84 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.256 0.55 . . . . 0.0 112.065 -172.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -130.32 135.0 26.74 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.088 173.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.44 100.87 0.06 OUTLIER 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.872 2.381 . . . . 0.0 112.009 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -102.67 94.51 5.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.689 -176.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -138.18 121.51 17.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.691 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' HD22 ' A' ' 20' ' ' LEU . 7.2 p-10 -94.15 -15.3 24.77 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.095 -177.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt 69.71 -65.14 0.32 Allowed 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.657 0.598 . . . . 0.0 110.525 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.15 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 55.0 t80 -167.53 -64.33 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 169.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.15 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 2.5 pt? -145.39 18.63 1.53 Allowed 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.528 1.531 . . . . 0.0 108.898 -17.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.3 98.05 0.09 OUTLIER Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.39 -0.823 . . . . 0.0 114.716 -168.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 22' ' ' THR . 19.6 m -149.86 7.09 0.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.878 0.847 . . . . 0.0 109.414 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -126.27 99.18 5.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.221 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' O ' HG23 ' A' ' 28' ' ' VAL . 15.9 m120 -87.62 -2.65 58.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.051 -171.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.48 -47.92 66.24 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.7 mt-10 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 111.134 -179.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.42 -35.85 68.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.445 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 24' ' ' ASN . 57.4 t -69.53 -32.82 54.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.188 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -70.97 -24.86 62.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.284 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 26' ' ' GLU . 77.9 t -61.72 -57.38 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.382 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.641 HD12 ' HG2' ' A' ' 32' ' ' ARG . 2.1 pp 43.27 -157.74 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.152 0.908 . . . . 0.0 112.688 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.641 ' HG2' HD12 ' A' ' 31' ' ' LEU . 15.0 mmt180 65.56 -176.81 0.18 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.405 0.621 . . . . 0.0 112.443 176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -141.23 171.14 14.47 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.491 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.664 ' HB2' ' CD1' ' A' ' 56' ' ' TRP . 19.3 pttm -90.0 177.8 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.2 t60 -152.88 115.12 4.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.566 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.34 -169.22 54.81 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.378 174.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.605 ' HG2' ' CE2' ' A' ' 117' ' ' PHE . 21.9 mt-30 -110.04 -58.97 1.99 Allowed 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.755 0.312 . . . . 0.0 111.047 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HE1' ' CD2' ' A' ' 110' ' ' PHE . 75.2 m-85 -104.86 93.04 4.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -174.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 119' ' ' LEU . 42.9 mm -119.21 126.15 75.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.255 0.55 . . . . 0.0 110.998 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -109.11 124.22 50.45 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 172.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.3 m -107.63 135.6 45.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.52 0.676 . . . . 0.0 111.464 -176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.43 ' HB2' ' O ' ' A' ' 123' ' ' GLU . 4.4 p-90 -143.69 174.77 10.5 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.63 -113.19 2.07 Favored Glycine 0 CA--C 1.506 -0.509 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.563 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -146.49 -63.55 0.3 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 173.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.06 164.75 28.33 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.645 174.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.76 -95.97 2.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.405 -178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.6 -170.09 3.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.34 -134.03 8.22 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.521 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 73.1 tttt -163.35 87.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.331 0.586 . . . . 0.0 109.644 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.6 ' HA ' HD13 ' A' ' 53' ' ' LEU . 6.9 m -69.77 -13.08 62.1 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.116 -170.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -61.19 -36.34 79.62 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.597 0.237 . . . . 0.0 111.439 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.513 HD21 HG11 ' A' ' 147' ' ' VAL . 3.9 pp -74.0 -26.66 60.56 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.637 -178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.6 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.9 mp -66.66 -39.83 88.35 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.187 0.518 . . . . 0.0 109.739 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.53 -45.43 94.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.501 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.28 98.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.384 0.611 . . . . 0.0 111.13 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.664 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 72.8 t90 -60.1 -39.35 85.83 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.528 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 69' ' ' TYR . 73.2 t -72.91 -45.76 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.029 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.2 91.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.227 -178.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.514 ' HG2' ' HG2' ' A' ' 34' ' ' LYS . 61.0 tp60 -57.89 -44.97 87.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.196 176.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB2' ' CD2' ' A' ' 86' ' ' TYR . . . -63.83 -41.25 97.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.27 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 87.1 mt -58.85 -42.6 89.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.055 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -75.83 -27.35 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 111.207 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.14 -12.05 61.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.067 178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.45 23.95 41.54 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.16 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -121.28 158.54 27.92 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 50.8 t30 -83.71 134.27 34.76 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -174.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.1 144.93 38.93 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.286 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.96 123.07 36.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.999 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.545 ' HB2' HG21 ' A' ' 57' ' ' VAL . 89.6 t80 -104.98 107.74 18.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.55 177.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.4 mt -121.27 125.56 73.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.178 0.514 . . . . 0.0 111.636 -175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -93.58 100.0 12.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -60.17 -21.55 61.82 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -171.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HB2' ' HG3' ' A' ' 94' ' ' LYS . . . -88.17 -2.8 58.82 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -132.66 -23.73 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.034 0.445 . . . . 0.0 111.158 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 75.1 mtm -132.11 143.74 50.24 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.876 ' HB3' ' HB3' ' A' ' 10' ' ' HIS . 61.1 Cg_endo -82.06 152.85 16.56 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.34 2.027 . . . . 0.0 113.273 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.5 tp -82.17 143.63 31.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.09 158.87 43.42 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -177.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -63.91 -16.24 60.97 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.04 0.448 . . . . 0.0 110.623 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.33 -24.37 28.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.311 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.1 -23.8 49.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.227 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.38 -12.78 61.64 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.19 -22.87 51.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.282 0.563 . . . . 0.0 110.775 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -94.15 139.45 30.99 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.203 -174.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -82.09 -33.19 29.91 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.154 174.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.408 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 9.7 m-85 -106.32 115.99 31.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.678 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.628 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.4 mm? -113.22 116.95 30.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.91 117.49 26.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.61 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.08 123.87 57.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.916 0.389 . . . . 0.0 110.826 -177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -102.34 141.86 34.49 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 2.8 mt-30 68.12 60.08 0.42 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 110.89 -178.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 120' ' ' LEU . 41.3 t -70.26 -22.94 24.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.684 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -63.66 -15.14 57.54 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 121.088 0.471 . . . . 0.0 111.12 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.48 ' HG3' ' HB2' ' A' ' 73' ' ' ALA . 29.7 mmmt -82.91 -1.0 51.03 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -175.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.4 144.03 36.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.964 0.412 . . . . 0.0 111.105 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -86.63 -76.01 1.25 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.455 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -157.29 -51.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.386 -0.479 . . . . 0.0 111.458 -175.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -62.73 -34.43 77.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 109.803 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -66.1 -35.34 80.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.512 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -68.46 -38.55 81.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.47 -34.57 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.329 0.585 . . . . 0.0 110.177 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.69 -51.6 54.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.444 177.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -57.22 -44.67 83.96 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.692 179.157 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -52.65 -45.37 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.104 176.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -66.16 -33.92 76.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.083 178.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 103' ' ' LEU . 69.2 mt -61.84 -44.42 98.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.608 ' HZ ' ' HE3' ' A' ' 139' ' ' MET . 11.0 m-85 -58.95 -42.99 91.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.659 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 50.3 t30 -57.94 -48.22 80.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.136 176.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -56.58 -44.27 80.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.628 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 15.4 m-30 -61.57 -56.5 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 111.264 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.8 mmt85 -75.72 -18.43 59.59 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.159 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.659 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.3 t-20 -70.23 -49.69 47.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.984 0.421 . . . . 0.0 110.359 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.3 m -84.39 -30.96 24.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.354 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 98.24 29.28 7.62 Favored Glycine 0 N--CA 1.453 -0.209 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -132.86 -164.15 1.44 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 114.573 -0.814 . . . . 0.0 109.745 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.434 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 101.45 127.42 6.09 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.195 -1.002 . . . . 0.0 113.682 173.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.605 ' CE2' ' HG2' ' A' ' 37' ' ' GLN . 57.7 m-85 -118.73 126.36 51.72 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 24.4 tp -133.16 141.13 47.96 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.144 0.497 . . . . 0.0 110.953 -175.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.569 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 55.2 tp -145.32 103.09 3.8 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.328 176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.449 ' HB3' HG21 ' A' ' 92' ' ' VAL . 89.5 mt -115.84 143.94 44.71 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.643 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -133.65 132.25 6.39 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.6 t -151.94 36.74 0.55 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.977 0.389 . . . . 0.0 110.459 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 0.9 OUTLIER 53.85 -48.81 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.042 1.737 . . . . 0.0 115.075 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -89.8 -179.64 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 118.31 0.504 . . . . 0.0 110.357 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.4 p -89.15 161.19 41.23 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.717 -0.22 . . . . 0.0 111.115 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.422 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 34.0 Cg_exo -60.36 -27.5 84.98 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.884 2.389 . . . . 0.0 112.545 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -94.29 4.56 53.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -106.39 -29.17 9.9 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.47 146.29 52.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.161 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 38.4 t -104.35 80.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.391 0.615 . . . . 0.0 109.801 177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.3 pt -115.52 -176.98 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.523 178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -67.16 131.92 46.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 136' ' ' ARG . 14.9 tt0 -62.22 -20.45 64.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.126 -173.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.35 -41.61 98.86 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.253 0.549 . . . . 0.0 110.417 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 51.1 tp -80.05 -32.48 39.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.273 0.559 . . . . 0.0 109.538 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HB3' ' HA ' ' A' ' 133' ' ' GLU . 66.0 ttt-85 -60.41 -42.9 96.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.48 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 14.2 t -67.91 -28.15 67.25 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.957 0.408 . . . . 0.0 110.758 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.426 ' HB3' ' CG ' ' A' ' 107' ' ' PHE . 22.1 mmt180 -73.76 -28.86 61.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.384 176.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.608 ' HE3' ' HZ ' ' A' ' 107' ' ' PHE . 0.0 OUTLIER -61.98 -20.89 64.35 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.735 -178.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.96 -3.83 37.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.688 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -87.64 2.15 51.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.758 0.313 . . . . 0.0 110.732 177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 75.4 m -118.03 150.72 38.82 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.167 0.508 . . . . 0.0 110.699 -177.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.04 154.62 28.04 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.581 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.3 t -114.15 116.31 52.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.022 0.439 . . . . 0.0 110.291 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -117.04 126.91 53.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.841 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -97.8 115.53 28.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.913 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.513 HG11 HD21 ' A' ' 52' ' ' LEU . 7.2 p -131.24 141.5 45.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.721 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -123.86 151.11 64.1 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.306 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.99 2.46 . . . . 0.0 112.53 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.14 51.0 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.749 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -102.11 92.24 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 175.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.656 -171.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -145.47 121.54 10.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.709 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -108.1 98.84 8.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -73.44 161.81 29.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.283 0.563 . . . . 0.0 112.314 -171.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -122.29 149.0 44.33 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.118 -0.946 . . . . 0.0 109.074 174.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 p -160.93 102.82 1.3 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.802 0.334 . . . . 0.0 110.649 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -134.79 128.99 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.8 ptm -166.21 145.93 6.1 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.301 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -175.97 143.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.745 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -145.4 86.35 7.51 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 121.316 0.579 . . . . 0.0 110.508 178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.27 107.07 2.39 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.949 2.433 . . . . 0.0 111.917 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.8 m -114.86 89.24 3.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.113 0.482 . . . . 0.0 110.137 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -134.99 121.7 20.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -167.26 107.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -83.75 168.07 16.55 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.524 -172.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.732 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 1.1 t80 -177.57 82.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -170.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.732 ' C ' ' HA ' ' A' ' 19' ' ' PHE . 32.4 mt 19.68 89.12 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 128.761 2.825 . . . . 0.0 117.112 11.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 137.53 94.08 0.34 Allowed Glycine 0 C--O 1.224 -0.524 0 C-N-CA 120.915 -0.66 . . . . 0.0 111.895 176.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 t -141.86 121.99 13.81 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 111.634 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -152.35 113.46 4.23 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.94 -1.027 . . . . 0.0 109.107 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.55 HD22 ' N ' ' A' ' 24' ' ' ASN . 0.8 OUTLIER -89.52 0.81 56.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.182 -172.74 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.48 -21.57 63.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.443 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 30' ' ' VAL . 47.1 mt-10 -52.72 -48.8 66.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.963 0.411 . . . . 0.0 110.731 -179.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.57 -35.84 81.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.162 -176.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.24 -33.77 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.433 0.635 . . . . 0.0 110.571 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.07 -23.24 59.33 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.466 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 26' ' ' GLU . 47.4 t -76.14 -51.57 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 2.4 pt? -73.01 149.51 43.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 112.694 -166.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.848 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 8.2 mmt180 -127.33 -85.12 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.586 178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.91 -164.74 2.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.185 -176.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HA ' ' HD1' ' A' ' 56' ' ' TRP . 17.2 ptpt -119.64 -171.46 2.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -152.56 -35.85 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 111.432 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.21 -159.95 25.79 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.325 179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 59.7 tt0 -98.89 -48.55 4.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.773 0.321 . . . . 0.0 110.657 -179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 110' ' ' PHE . 77.4 m-85 -123.42 92.52 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG22 HG13 ' A' ' 41' ' ' VAL . 50.4 mm -121.83 124.9 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.168 0.508 . . . . 0.0 111.32 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 41.8 t80 -108.04 115.03 29.37 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.031 172.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 145' ' ' TYR . 3.0 m -123.88 102.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.977 0.418 . . . . 0.0 110.956 -178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -86.13 118.24 25.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.345 0.593 . . . . 0.0 110.499 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HB ' ' A' ' 147' ' ' VAL . . . 179.33 -168.95 39.89 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.498 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 60.17 -165.17 0.21 Allowed 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.647 0.379 . . . . 0.0 111.201 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -167.31 -83.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.976 0.417 . . . . 0.0 111.04 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.593 ' HA2' ' HB3' ' A' ' 49' ' ' LYS . . . -145.92 -158.06 7.56 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.087 -177.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 66.24 -74.94 0.06 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.464 0.706 . . . . 0.0 110.445 -175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' A' ' 51' ' ' HIS . . . -111.61 52.37 0.64 Allowed Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.108 -1.197 . . . . 0.0 110.108 172.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.593 ' HB3' ' HA2' ' A' ' 46' ' ' GLY . 14.7 ptmm? -61.84 151.29 34.83 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 115.467 -0.367 . . . . 0.0 111.818 -172.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m 63.05 34.08 14.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.644 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 48' ' ' GLY . 9.0 t-80 -68.89 -53.7 19.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.889 -173.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.6 -26.84 63.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.874 0.369 . . . . 0.0 110.485 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.514 HD12 HD23 ' A' ' 119' ' ' LEU . 36.9 tp -66.99 -51.38 55.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.895 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.46 ' HG3' HG13 ' A' ' 30' ' ' VAL . 11.0 pt20 -66.44 -33.94 76.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.242 0.544 . . . . 0.0 110.571 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.848 ' HB1' ' HB2' ' A' ' 32' ' ' ARG . . . -59.24 -30.38 68.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.701 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.638 ' HD1' ' HA ' ' A' ' 34' ' ' LYS . 70.8 t90 -79.97 -41.62 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.427 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 69' ' ' TYR . 46.3 t -59.87 -51.53 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.107 -179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -64.35 -30.15 71.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.974 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.51 -40.75 96.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 178.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.88 -29.17 61.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 58' ' ' ALA . 88.2 mt -63.85 -49.11 74.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.168 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -76.78 -12.72 60.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.075 0.464 . . . . 0.0 111.089 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.2 -7.57 54.2 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.521 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.18 60.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.292 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -95.82 179.53 5.07 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.1 t-20 -105.53 133.26 50.57 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 173.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.15 141.85 27.89 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.544 -176.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.83 129.88 30.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.605 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.56 ' HB3' HG21 ' A' ' 57' ' ' VAL . 45.7 p90 -109.97 128.25 55.27 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.68 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 67.8 mt -125.79 127.19 71.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.193 0.52 . . . . 0.0 111.108 -177.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.41 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 10.1 t70 -101.48 106.31 17.41 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.33 -24.42 63.32 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.1 11.67 29.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.354 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -135.07 -37.87 0.79 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.3 0.572 . . . . 0.0 110.219 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 67.5 mtm -138.61 143.95 40.16 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.478 -176.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -81.88 160.84 18.63 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.323 2.015 . . . . 0.0 111.66 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD23 ' HB3' ' A' ' 102' ' ' LEU . 47.9 tp -73.41 142.8 46.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.6 p -130.14 160.25 34.35 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.37 0.605 . . . . 0.0 111.889 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -62.58 -22.62 66.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.303 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.0 65.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.494 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.27 -18.16 47.25 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -177.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.426 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 45.1 m-85 -75.67 -13.72 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.609 0.242 . . . . 0.0 111.547 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.65 -23.87 29.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.081 0.467 . . . . 0.0 110.663 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.21 141.16 31.22 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -86.03 -37.29 19.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.417 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.438 ' HD2' ' CZ2' ' A' ' 56' ' ' TRP . 9.1 m-85 -107.65 114.11 27.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.052 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.775 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -110.54 133.81 52.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.08 0.467 . . . . 0.0 111.273 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.4 113.44 16.87 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.001 175.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 51.7 t -111.02 127.51 68.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.39 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' GLN . 19.0 t70 -106.77 126.08 51.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.488 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.724 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 43.6 mt-30 72.67 109.49 0.07 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.051 0.844 . . . . 0.0 111.562 179.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.1 -28.22 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.192 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.01 -26.64 68.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.851 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.724 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 22.7 mmmt -81.52 -8.6 59.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.889 -173.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -74.36 134.56 42.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.825 0.345 . . . . 0.0 110.95 -176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.39 -118.28 0.9 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.113 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -106.15 -55.18 2.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.832 0.316 . . . . 0.0 110.964 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.47 -42.55 98.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.799 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' HB3' HD22 ' A' ' 95' ' ' LEU . 2.0 mp0 -59.8 -42.46 93.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.145 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -67.65 -36.95 81.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.673 0.273 . . . . 0.0 110.901 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.43 83.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.549 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -66.49 -49.03 67.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.327 177.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HD11 ' A' ' 135' ' ' LEU . 0.6 OUTLIER -56.52 -44.92 81.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.17 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -53.3 -44.51 68.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.878 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.426 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 2.5 t -68.32 -32.42 72.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.261 -179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.421 HD12 HD22 ' A' ' 103' ' ' LEU . 72.4 mt -62.87 -45.56 98.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.34 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -59.93 -40.14 87.89 Favored 'General case' 0 C--O 1.231 0.091 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.576 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.628 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 8.4 t30 -58.82 -47.79 83.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.758 177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 109' ' ' ARG . 13.4 ttp180 -60.24 -46.72 88.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.674 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.775 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -65.85 -50.02 66.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.562 -177.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 111' ' ' ARG . 4.2 tpm_? -68.73 -35.28 76.92 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.731 0.3 . . . . 0.0 111.218 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.628 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 t-20 -71.64 -41.23 69.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.121 -178.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.5 m -85.69 -22.38 27.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.63 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 19.07 79.1 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -134.84 174.61 10.39 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.418 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 93.02 152.33 29.06 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.437 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 67.9 m-85 -125.79 140.44 52.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.775 0.322 . . . . 0.0 110.629 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 27.7 tp -139.35 139.47 37.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.323 0.582 . . . . 0.0 110.396 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.514 HD23 HD12 ' A' ' 53' ' ' LEU . 53.2 tp -134.52 123.64 24.24 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.221 176.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 89.1 mt -123.1 113.27 18.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -85.36 -54.1 2.92 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.5 m 65.53 -159.21 0.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 114.903 -0.649 . . . . 0.0 111.969 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.529 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -122.84 -32.49 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.124 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 85.2 m-85 -133.87 -87.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.631 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 0.7 OUTLIER -163.34 153.87 13.73 Favored Pre-proline 0 N--CA 1.466 0.364 0 C-N-CA 122.297 0.239 . . . . 0.0 110.385 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.577 ' HB3' ' HB3' ' A' ' 139' ' ' MET . 14.7 Cg_exo -67.67 -29.52 36.02 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.678 2.252 . . . . 0.0 112.632 -174.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.74 -15.98 27.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.681 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -102.76 -23.11 13.82 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.362 -176.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 125' ' ' THR . 61.0 mt -60.61 133.96 56.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 111.015 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.8 77.42 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.72 0.771 . . . . 0.0 109.517 178.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.7 pt -119.22 -173.08 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.444 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -61.69 133.42 55.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.787 0.327 . . . . 0.0 110.239 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -58.23 -24.77 60.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.499 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -73.14 -34.22 65.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.108 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.696 HD11 HD12 ' A' ' 103' ' ' LEU . 41.7 tp -83.02 -47.42 11.73 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -175.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -61.12 -23.32 65.43 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -172.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.3 p -75.66 -28.55 58.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.949 0.404 . . . . 0.0 110.973 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -77.74 -16.55 58.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.419 0.628 . . . . 0.0 110.576 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 126' ' ' PRO . 25.8 mmt -67.77 -18.73 64.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.692 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -70.54 -12.57 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.897 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -81.5 -1.14 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.958 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 66.7 m -108.71 151.78 25.72 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -80.33 154.55 27.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.591 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.86 123.55 67.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.85 0.357 . . . . 0.0 110.631 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.5 ' HB2' HG12 ' A' ' 41' ' ' VAL . 97.9 m-85 -126.36 136.22 52.44 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.716 175.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -83.76 130.24 34.94 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.54 ' HB ' ' HA3' ' A' ' 43' ' ' GLY . 48.8 t -111.25 92.84 2.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.886 0.374 . . . . 0.0 111.004 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -151.26 87.4 4.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 123.18 2.587 . . . . 0.0 111.829 176.726 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.811 0.339 . . . . 0.0 110.696 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.15 -175.87 38.41 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.332 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 p-80 -129.1 143.21 50.79 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -132.49 131.68 41.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.073 -173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.4 m170 69.1 112.79 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.864 0.727 . . . . 0.0 111.519 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -146.59 152.23 38.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.351 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -139.97 165.01 28.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.963 0.411 . . . . 0.0 111.188 -179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -137.98 114.0 9.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.369 172.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.1 p -116.72 139.41 50.59 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.644 0.259 . . . . 0.0 110.693 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -135.55 136.88 41.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.08 85.05 2.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.01 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -112.51 144.6 41.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.676 0.274 . . . . 0.0 110.766 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.1 m-85 -75.57 114.72 38.94 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.243 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 37.2 Cg_exo -58.86 -37.51 93.37 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.044 2.496 . . . . 0.0 113.361 -175.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -138.81 152.38 47.83 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 58.7 t80 179.84 80.27 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.024 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -165.39 106.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 19' ' ' PHE . 55.7 tttp -179.92 153.9 0.54 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.458 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.078 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 12.3 t80 -141.74 -68.32 0.38 Allowed 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 168.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.078 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 13.4 mt -132.17 104.7 6.92 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 126.824 2.05 . . . . 0.0 109.107 -20.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.15 -123.25 7.86 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.374 -0.917 . . . . 0.0 112.64 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 23' ' ' GLU . 28.9 m 74.93 167.86 0.29 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 122.856 0.462 . . . . 0.0 110.295 -179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' HG22 ' A' ' 22' ' ' THR . 39.0 mt-10 74.03 64.52 0.08 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.467 0.651 . . . . 0.0 109.76 -176.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -107.47 19.66 19.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.909 -174.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.9 -25.52 66.79 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.668 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.513 ' O ' HG23 ' A' ' 30' ' ' VAL . 39.0 mt-10 -62.62 -30.6 71.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.4 -34.7 61.07 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.107 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.3 t -62.56 -32.89 56.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.175 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -65.6 -38.0 88.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.622 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 26' ' ' GLU . 57.4 t -70.55 -45.56 73.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.143 -172.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.83 -174.03 0.2 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -171.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 70.5 36.6 1.66 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.777 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -130.91 100.32 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.844 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG2' ' CD ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -121.04 132.1 54.69 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.019 -178.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -136.67 178.75 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 173.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.31 -170.48 4.67 Favored Glycine 0 CA--C 1.524 0.62 0 O-C-N 123.444 0.465 . . . . 0.0 114.241 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 49.3 mt-30 -66.91 -85.4 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -173.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.618 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 97.2 m-85 -85.8 99.97 11.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.447 -175.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 145' ' ' TYR . 45.8 mm -129.29 128.43 66.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.248 0.547 . . . . 0.0 111.218 -174.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -111.67 129.39 56.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.424 173.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 145' ' ' TYR . 30.4 m -121.81 145.4 28.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.647 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -81.15 -76.95 0.22 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 174.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.662 ' HA2' ' HB ' ' A' ' 147' ' ' VAL . . . 99.18 -174.48 27.48 Favored Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.606 174.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.26 -49.58 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.605 0.24 . . . . 0.0 110.678 179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 174.23 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.069 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.1 69.58 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.95 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.51 137.43 45.61 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 9.53 57.48 Favored Glycine 0 C--N 1.317 -0.506 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.62 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.0 tttp 53.29 83.39 0.07 Allowed 'General case' 0 C--O 1.235 0.295 0 C-N-CA 123.747 0.819 . . . . 0.0 112.216 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.1 m 57.34 24.54 10.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.513 -0.767 . . . . 0.0 112.584 170.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -54.88 -33.11 61.6 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -172.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 tp -76.11 -45.42 33.91 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.002 0.43 . . . . 0.0 110.961 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 53' ' ' LEU . 6.4 mp -73.45 -35.78 65.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.542 -175.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -64.05 -33.99 77.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.401 -177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.98 89.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.009 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 117' ' ' PHE . 49.8 t90 -74.19 -34.86 63.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.768 -175.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.607 HG21 ' HB3' ' A' ' 69' ' ' TYR . 44.2 t -72.16 -44.87 64.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.203 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.03 85.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.614 -177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 56' ' ' TRP . 0.0 OUTLIER -69.95 -29.25 66.33 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.595 -0.442 . . . . 0.0 109.853 -179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.88 -37.01 73.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.256 0.551 . . . . 0.0 110.132 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.0 -44.14 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.681 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.16 -14.65 61.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.918 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.47 1.4 48.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.974 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.81 29.74 57.01 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.759 -0.734 . . . . 0.0 111.747 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -123.06 155.33 37.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 29.8 t-20 -80.82 133.67 35.65 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.484 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -154.95 142.86 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.31 138.14 21.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.607 ' HB3' HG21 ' A' ' 57' ' ' VAL . 13.1 p90 -114.26 132.04 56.28 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -128.37 120.14 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.09 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 74' ' ' SER . 10.1 p-10 -98.82 113.32 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -69.18 6.53 0.95 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.472 -173.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.92 -18.14 20.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.816 0.341 . . . . 0.0 110.963 176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 33.8 t -134.06 -15.6 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.276 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.516 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 71.6 mtm -138.51 144.02 40.72 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.578 0.227 . . . . 0.0 110.765 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 23.2 Cg_endo -90.82 158.25 4.11 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 123.081 2.521 . . . . 0.0 112.139 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 102' ' ' LEU . 41.7 tp -79.25 144.03 34.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 p -130.01 166.63 19.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.936 0.398 . . . . 0.0 111.164 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -73.96 -17.97 60.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.76 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.46 -25.24 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.486 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.94 -25.71 58.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.252 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -69.93 -12.73 61.84 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -77.8 -25.63 49.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.977 0.418 . . . . 0.0 111.023 176.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -86.12 151.97 23.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.686 -172.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -90.71 -35.83 14.68 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.056 173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.546 ' HA ' ' HB2' ' A' ' 117' ' ' PHE . 14.6 m-85 -107.91 113.73 27.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.615 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.587 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.5 mm? -118.67 121.94 41.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -120.74 119.8 33.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.417 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 60.0 t -111.04 114.9 48.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.163 0.506 . . . . 0.0 110.177 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -93.25 131.44 38.35 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.112 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' A' ' 122' ' ' SER . 1.9 mp0 61.85 78.51 0.29 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 122.728 0.411 . . . . 0.0 111.045 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.485 HG12 ' OG ' ' A' ' 122' ' ' SER . 14.5 p -79.1 -19.16 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.561 0.696 . . . . 0.0 109.796 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.635 ' HG3' ' HD3' ' A' ' 94' ' ' LYS . 7.9 pt-20 -61.04 -19.22 61.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.379 176.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.635 ' HD3' ' HG3' ' A' ' 93' ' ' GLU . 7.8 mptt -93.92 7.75 43.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.931 -174.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 99' ' ' GLU . 77.1 mt -86.61 134.5 33.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -112.55 -87.63 1.68 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.156 -1.021 . . . . 0.0 113.292 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -105.88 -81.99 0.54 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.694 -172.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.13 -34.15 77.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.961 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.0 mp0 -65.8 -41.1 92.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.757 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 131' ' ' ILE . 22.7 tt0 -74.31 -36.64 63.73 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.13 -178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.86 91.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.573 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.512 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -67.0 -48.4 68.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.433 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 103' ' ' LEU . 1.4 tm? -55.11 -45.88 75.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.45 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -57.74 -43.05 85.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.852 176.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.3 t -61.56 -38.14 86.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.353 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 102' ' ' LEU . 66.2 mt -59.26 -47.96 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.652 176.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -56.6 -45.39 81.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.788 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.7 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 52.9 t30 -60.59 -51.2 70.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.36 178.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -53.73 -45.91 70.66 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.545 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.587 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 16.6 m-30 -73.59 -54.99 6.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.943 -176.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -65.49 -25.02 67.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.334 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.7 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 2.8 t-20 -75.2 -28.16 59.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 0.0 110.634 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.0 t -95.3 -43.76 7.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.284 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 121.37 -29.49 5.69 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -82.65 -165.05 0.95 Allowed 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.979 -0.61 . . . . 0.0 110.601 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.454 ' HA3' ' CG ' ' A' ' 110' ' ' PHE . . . 96.87 128.76 5.96 Favored Glycine 0 N--CA 1.44 -1.053 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.435 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 56' ' ' TRP . 56.6 m-85 -114.01 115.94 28.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' HA ' HD22 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -122.42 131.99 54.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.981 0.419 . . . . 0.0 110.225 -173.257 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 39' ' ' ILE . 62.9 tp -134.34 120.95 20.53 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.714 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 98.9 mt -118.79 138.34 52.76 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -149.93 114.32 0.65 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.264 -0.97 . . . . 0.0 113.16 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.813 ' HB3' ' HA ' ' A' ' 91' ' ' GLN . 11.4 p 179.6 -171.15 0.15 Allowed 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.264 0.625 . . . . 0.0 109.88 175.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 pm0 44.12 -163.62 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.335 1.022 . . . . 0.0 112.996 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -107.34 -33.52 7.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.53 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 128' ' ' GLN . 1.1 p -158.34 155.33 25.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.347 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.4 ' O ' ' HB2' ' A' ' 129' ' ' LEU . 36.2 Cg_endo -66.46 -15.32 47.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 -179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -67.93 -21.44 65.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.501 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 125' ' ' THR . 3.2 pt20 -106.87 8.21 30.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.961 0.41 . . . . 0.0 110.587 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.435 HD21 HG13 ' A' ' 92' ' ' VAL . 10.4 mt -71.61 137.32 47.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.448 178.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 29.5 t -95.44 77.21 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.188 175.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.465 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 31.8 pt -132.34 156.55 42.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.272 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 132' ' ' ARG . 2.5 tpm_? -62.92 145.27 55.61 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 173.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 24.3 mp0 -61.61 -28.02 69.07 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 -175.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 19.0 m-20 -70.62 -22.75 62.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.968 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 139' ' ' MET . 7.2 tt -82.35 -33.61 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -65.43 -33.95 77.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.722 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.0 p -69.06 -34.84 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.666 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 18.9 mmt180 -69.2 -27.84 65.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.66 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 94.8 mmm -64.82 -21.67 66.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.088 0.471 . . . . 0.0 111.138 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.72 -6.27 51.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.522 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.425 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 74.6 m-85 -92.6 8.56 38.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.985 0.422 . . . . 0.0 110.12 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 59.2 m -117.6 167.29 11.46 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.509 -179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -101.41 154.29 18.93 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 115.82 50.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 120.991 0.424 . . . . 0.0 110.206 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.567 ' CE1' HD12 ' A' ' 39' ' ' ILE . 2.8 m-85 -99.68 118.3 35.89 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -80.77 112.64 18.33 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.333 0.587 . . . . 0.0 110.656 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.662 ' HB ' ' HA2' ' A' ' 43' ' ' GLY . 44.4 t -95.33 100.66 11.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 148' ' ' LYS . 0.7 OUTLIER -73.53 147.74 87.38 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.131 -174.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 C--O 1.25 1.114 0 C-N-CA 122.249 1.966 . . . . 0.0 111.255 170.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.693 0.282 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.43 98.13 0.55 Allowed Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.05 89.16 3.05 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 -176.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -84.11 86.32 7.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.117 0.484 . . . . 0.0 110.691 -177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -70.12 130.21 41.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.773 176.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -142.8 134.7 26.96 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.525 -175.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -143.44 134.28 25.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.887 0.375 . . . . 0.0 111.076 -176.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -136.17 150.69 49.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.479 172.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -112.46 122.43 47.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.964 0.412 . . . . 0.0 111.082 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -115.42 131.83 56.81 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.517 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 1.7 mpt? -59.75 121.78 12.54 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.433 0.458 . . . . 0.0 111.469 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -89.92 76.36 7.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.598 -179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.517 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 75.6 m-85 -130.17 87.36 51.35 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.597 -0.519 . . . . 0.0 109.597 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -73.12 -25.47 15.97 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.885 2.39 . . . . 0.0 113.003 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.5 m 62.95 87.86 0.1 Allowed 'General case' 0 N--CA 1.463 0.18 0 O-C-N 123.558 0.537 . . . . 0.0 110.22 -174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.441 ' CD1' ' HD3' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -85.58 151.74 23.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.075 0.464 . . . . 0.0 111.725 -174.303 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -95.43 -10.29 30.31 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.561 -177.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 12.4 mptt -74.75 -82.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -175.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.095 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 87.9 m-85 -135.35 -65.84 0.59 Allowed 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.095 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 6.9 mt -109.41 93.82 4.71 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.221 -18.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.57 -67.28 3.38 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.642 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -78.53 98.87 6.26 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.419 1.104 . . . . 0.0 111.927 -176.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -169.57 101.96 0.33 Allowed 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.458 -1.701 . . . . 0.0 108.164 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.592 ' HB3' ' HB3' ' A' ' 27' ' ' LEU . 93.9 m-20 -88.69 43.38 1.13 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.978 -168.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.28 -51.11 71.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.471 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 39.9 mt-10 -67.43 -25.32 65.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.475 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 24' ' ' ASN . 58.0 tp -71.63 -44.18 64.83 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 24' ' ' ASN . 70.9 t -62.03 -33.01 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.271 0.558 . . . . 0.0 110.148 176.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HB3' ' O ' ' A' ' 26' ' ' GLU . 69.9 t80 -57.6 -28.47 63.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.219 176.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.73 -37.97 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.778 0.323 . . . . 0.0 111.48 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.72 127.71 32.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.692 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -132.57 -80.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.674 176.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -171.45 150.69 2.88 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -149.48 140.83 23.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.435 0.16 . . . . 0.0 110.889 -179.061 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -166.43 123.28 1.31 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 122.983 0.513 . . . . 0.0 110.065 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.45 174.76 13.77 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.305 175.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -126.44 -38.79 2.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.611 175.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -133.31 81.52 1.94 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.963 -176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 53.6 mt -131.47 133.32 62.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.502 0.668 . . . . 0.0 111.822 -174.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -108.42 121.67 45.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.139 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 145' ' ' TYR . 26.5 m -112.55 143.51 22.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.015 0.436 . . . . 0.0 110.511 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' HA ' ' O ' ' A' ' 122' ' ' SER . 13.5 p-90 -134.75 153.24 52.1 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.79 178.28 15.48 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.488 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 6.4 tp10 -144.79 10.55 1.37 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.62 0.724 . . . . 0.0 109.243 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.701 ' HB2' HG23 ' A' ' 147' ' ' VAL . 1.9 mp0 -60.96 113.26 2.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.802 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 107.93 -2.44 33.67 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.959 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.75 87.0 0.09 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 145.32 70.3 0.02 OUTLIER Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.346 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -64.52 -36.86 85.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.215 0.531 . . . . 0.0 109.955 174.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -91.98 8.58 36.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.392 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -68.82 -51.31 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.861 -174.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.57 -26.49 57.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.34 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.07 -43.83 91.81 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.233 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -67.37 -37.06 82.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.507 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.68 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.149 0.5 . . . . 0.0 110.304 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.403 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 46.0 t90 -65.96 -41.89 90.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.529 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG21 ' HB3' ' A' ' 69' ' ' TYR . 77.4 t -67.21 -46.0 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.073 177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.98 97.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.929 -176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -34.55 78.24 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.397 -177.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.72 77.82 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.918 0.39 . . . . 0.0 110.203 176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 63.6 mt -60.01 -48.01 83.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.982 177.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -70.61 -16.31 62.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.93 0.395 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.12 0.91 50.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.755 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.68 9.18 81.71 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.263 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -99.14 159.94 14.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.566 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 18.4 t-20 -90.58 133.58 34.99 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -154.17 145.84 23.29 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.345 -176.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.65 139.47 21.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.864 0.364 . . . . 0.0 111.271 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.493 ' HB3' HG21 ' A' ' 57' ' ' VAL . 32.6 p90 -109.32 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 64.9 mt -116.71 125.77 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.39 -173.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.06 109.76 22.12 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.68 -11.27 60.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -172.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.82 -41.0 13.56 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.921 0.391 . . . . 0.0 110.904 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.9 t -98.39 -27.38 14.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.059 -176.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 74.5 mtm -125.7 144.56 48.62 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 0.0 111.169 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -82.49 153.63 15.81 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.563 2.176 . . . . 0.0 111.942 177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.536 HD23 ' HB3' ' A' ' 102' ' ' LEU . 27.7 tp -81.92 143.57 31.56 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 176.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 165.45 27.19 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.97 -172.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -66.24 -21.22 66.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.351 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.27 -25.12 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.735 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.87 -20.12 64.82 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.266 -0.425 . . . . 0.0 112.093 -178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -75.46 -14.51 60.44 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.92 -24.29 35.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.0 110.554 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.566 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -84.4 145.04 28.4 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.701 -178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -92.17 -33.2 14.81 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.306 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.428 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 12.7 m-85 -108.05 109.56 21.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.984 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.73 HD23 ' HZ ' ' A' ' 110' ' ' PHE . 3.6 mm? -110.37 123.78 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.844 0.354 . . . . 0.0 111.352 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -113.26 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.845 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 55.1 t -105.39 118.41 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.401 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -102.46 136.08 42.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.834 -177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 94' ' ' LYS . 45.0 mt-30 64.08 61.69 0.91 Allowed 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.713 0.633 . . . . 0.0 111.486 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.36 -30.24 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.781 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.873 ' HB3' HD22 ' A' ' 129' ' ' LEU . 11.0 pt-20 -66.95 -19.17 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.623 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 91' ' ' GLN . 0.8 OUTLIER -94.8 12.74 26.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.909 -175.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 99' ' ' GLU . 88.1 mt -67.17 153.3 44.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.784 0.326 . . . . 0.0 110.603 176.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.39 -81.48 1.6 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.911 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -150.48 -67.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.925 0.393 . . . . 0.0 110.176 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -59.37 -35.48 73.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.706 0.765 . . . . 0.0 109.775 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 99' ' ' GLU . 25.8 mp0 -62.04 -33.95 75.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.384 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.8 98.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.145 0.497 . . . . 0.0 110.375 178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.536 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -66.11 -47.8 72.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.625 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.528 HD22 HD12 ' A' ' 106' ' ' ILE . 0.2 OUTLIER -55.5 -47.25 76.51 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.6 178.429 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -58.35 -41.16 84.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.597 177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 54.3 m -62.95 -32.9 74.31 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.888 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.528 HD12 HD22 ' A' ' 103' ' ' LEU . 70.5 mt -63.11 -47.24 93.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.373 175.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -58.42 -44.28 89.0 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.982 0.42 . . . . 0.0 110.358 174.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.648 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 55.6 t30 -56.54 -44.33 80.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.757 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -62.0 -54.24 44.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.73 ' HZ ' HD23 ' A' ' 87' ' ' LEU . 21.5 m-30 -66.58 -40.88 89.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.552 -174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -66.04 -40.16 90.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.794 0.33 . . . . 0.0 110.724 178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.648 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.2 m-20 -75.12 -38.8 60.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.697 -176.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.8 t -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.76 0.314 . . . . 0.0 111.378 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.77 -25.03 26.92 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -175.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 116' ' ' GLY . 64.8 tttp -90.73 172.53 8.58 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 177.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 115' ' ' LYS . . . 94.48 151.57 28.4 Favored Glycine 0 C--N 1.313 -0.699 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.973 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.403 ' HB3' ' HZ2' ' A' ' 56' ' ' TRP . 58.3 m-85 -128.18 136.04 50.56 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.447 HD13 ' HE2' ' A' ' 110' ' ' PHE . 21.8 tp -129.09 136.42 50.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.443 0.639 . . . . 0.0 110.732 -177.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 45.6 tp -131.35 111.9 12.26 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.765 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.82 132.95 52.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.599 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 41' ' ' VAL . . . -127.41 148.39 17.47 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.743 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.465 ' O ' ' HA ' ' A' ' 42' ' ' TRP . 0.3 OUTLIER -164.36 175.2 10.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 177.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -99.63 -24.39 14.75 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.539 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -109.4 -173.43 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.607 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.3 p -95.44 153.67 39.5 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.154 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.5 Cg_exo -58.8 -31.05 94.41 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.33 2.687 . . . . 0.0 114.107 -171.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.1 -6.6 59.0 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -128.24 13.61 6.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.725 0.298 . . . . 0.0 111.105 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.873 HD22 ' HB3' ' A' ' 93' ' ' GLU . 78.7 mt -70.96 154.88 41.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.303 175.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.67 80.51 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.19 0.519 . . . . 0.0 110.121 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.2 pt -139.22 161.74 28.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.596 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -80.52 168.6 18.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 111.333 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 17.0 mp0 -56.18 -56.73 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.233 -0.894 . . . . 0.0 113.034 -168.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -59.12 -39.82 83.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.772 0.32 . . . . 0.0 111.732 -176.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.469 HD11 HD12 ' A' ' 103' ' ' LEU . 40.2 tp -71.4 -35.1 70.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.114 0.483 . . . . 0.0 110.127 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -61.59 -40.26 94.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.381 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.0 p -72.4 -37.3 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.893 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 9.6 mmt180 -63.36 -33.95 76.64 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.841 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 90.8 mmm -65.16 -24.38 67.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.249 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -83.59 -12.17 56.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.756 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 26.2 m-85 -80.91 -16.02 54.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.084 0.468 . . . . 0.0 110.383 178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 32.7 t -90.24 144.14 26.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.482 -176.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.45 156.22 35.33 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.93 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 60.5 t -123.65 116.54 48.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.683 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 83.6 m-85 -131.22 155.71 46.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.497 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' ' 148' ' ' LYS . 3.6 pt-20 -135.85 150.97 49.58 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.199 -177.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' A' ' 45' ' ' GLU . 14.3 m -84.55 -2.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -172.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.55 ' C ' ' HD2' ' A' ' 148' ' ' LYS . 0.3 OUTLIER -68.7 159.58 81.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 175.235 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo . . . . . 0 C--O 1.251 1.131 0 C-N-CA 122.845 2.364 . . . . 0.0 111.726 175.677 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 120.826 0.346 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.67 89.31 0.48 Allowed Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.52 141.34 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.738 0.304 . . . . 0.0 111.196 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -143.66 118.49 9.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.804 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 81.9 t60 -81.14 127.23 32.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.47 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.86 116.58 29.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.459 -179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -151.22 102.44 2.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.974 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -161.99 131.72 4.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.065 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -118.98 155.77 30.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.634 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -115.23 146.18 41.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -118.08 113.93 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 111.032 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -116.33 103.65 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.696 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -114.65 104.66 54.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.847 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -93.76 112.14 0.2 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 123.32 2.68 . . . . 0.0 112.593 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.1 p -131.73 96.88 4.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.191 0.52 . . . . 0.0 110.629 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -98.53 169.86 9.23 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.064 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -142.5 129.74 21.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.71 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -88.02 -166.61 1.63 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.122 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.014 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 21.4 t80 -136.37 -68.16 0.5 Allowed 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 167.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.014 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 3.1 pp -116.34 0.33 12.79 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.12 1.368 . . . . 0.0 107.616 -22.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -168.05 145.41 9.64 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.098 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -84.11 130.44 34.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 117.8 0.8 . . . . 0.0 111.339 -174.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -174.67 99.67 0.09 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.709 176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -89.56 16.46 7.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -174.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.08 66.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.794 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 30' ' ' VAL . 44.9 mt-10 -56.7 -38.45 72.32 Favored 'General case' 0 C--O 1.227 -0.122 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.22 -44.67 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.52 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.94 -33.47 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.263 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.97 -42.0 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.368 174.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 26' ' ' GLU . 72.8 t -64.07 -49.85 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.311 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.666 ' HA ' ' HA ' ' A' ' 55' ' ' ALA . 4.2 pp -75.15 173.15 11.17 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.057 0.456 . . . . 0.0 111.782 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -157.88 -81.56 0.06 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.299 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -179.79 136.68 0.12 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.6 146.47 23.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.639 0.257 . . . . 0.0 110.579 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -126.09 139.0 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.527 -177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.15 -136.6 48.27 Favored Glycine 0 N--CA 1.454 -0.119 0 O-C-N 123.61 0.569 . . . . 0.0 113.193 173.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.538 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 1.2 pt20 -134.51 -85.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.284 0.042 . . . . 0.0 110.928 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.508 ' HA ' ' O ' ' A' ' 117' ' ' PHE . 98.7 m-85 -73.29 99.38 2.88 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 177.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 51.6 mm -111.09 122.08 64.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-O 121.636 0.731 . . . . 0.0 110.989 -178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.721 ' O ' ' HA ' ' A' ' 144' ' ' VAL . 58.2 t80 -125.42 130.34 51.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.322 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -130.16 117.5 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-O 121.024 0.44 . . . . 0.0 110.851 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CD2' HG22 ' A' ' 125' ' ' THR . 0.3 OUTLIER -85.29 92.88 8.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.658 0.742 . . . . 0.0 110.927 179.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.18 55.4 4.94 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.119 -175.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.685 ' HG2' ' HA ' ' A' ' 124' ' ' TYR . 58.7 mt-10 -72.2 92.12 1.34 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.946 0.403 . . . . 0.0 110.301 178.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -167.36 -61.03 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 138.27 -29.04 2.65 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.439 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.11 -53.22 28.81 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 122.453 0.301 . . . . 0.0 111.37 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.06 56.73 19.64 Favored Glycine 0 C--N 1.336 0.529 0 CA-C-N 116.35 -0.386 . . . . 0.0 113.47 174.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.823 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -86.57 100.42 12.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.029 0.443 . . . . 0.0 110.819 179.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.1 m -86.84 17.72 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.497 0.665 . . . . 0.0 110.441 -178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -61.52 -34.69 75.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.171 177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -73.38 -30.45 63.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.496 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.42 HD12 HD23 ' A' ' 119' ' ' LEU . 14.4 tp -64.63 -42.71 95.31 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.102 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.38 -37.2 71.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.578 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.666 ' HA ' ' HA ' ' A' ' 31' ' ' LEU . . . -59.27 -45.51 91.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.076 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 117' ' ' PHE . 70.6 t90 -58.34 -38.97 78.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.277 -177.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 69' ' ' TYR . 59.2 t -63.1 -46.28 96.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -34.59 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.265 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ALA . 14.1 mm100 -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.119 0.485 . . . . 0.0 110.412 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.66 -40.69 80.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.736 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 82.8 mt -59.83 -37.76 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.53 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.18 -28.58 66.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.321 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.19 -6.2 50.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.945 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.36 26.55 63.39 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.702 -0.761 . . . . 0.0 111.262 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -115.28 158.57 22.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 44.0 t30 -82.48 133.4 35.2 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.235 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.7 129.41 22.95 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.597 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.18 138.44 46.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' HB3' HG21 ' A' ' 57' ' ' VAL . 41.9 p90 -117.28 133.78 55.57 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.269 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.441 HG21 ' HA ' ' A' ' 77' ' ' LEU . 73.4 mt -127.39 114.96 38.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.845 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.935 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 15.4 p-10 -94.13 102.03 14.06 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.795 -178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.78 61.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.547 -169.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.75 25.24 7.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.072 0.463 . . . . 0.0 111.179 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB3' ' OD2' ' A' ' 71' ' ' ASP . 28.0 t -158.26 -36.51 0.07 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 48.1 mtm -126.05 145.23 51.46 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.387 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.19 153.72 41.1 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.385 2.056 . . . . 0.0 112.214 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' HA ' HG21 ' A' ' 70' ' ' ILE . 36.5 tp -76.15 144.18 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 177.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.2 p -131.54 153.93 49.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.903 0.383 . . . . 0.0 111.144 -175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -75.66 -15.45 60.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.892 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.88 -24.14 66.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.338 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.422 ' O ' HD11 ' A' ' 87' ' ' LEU . . . -53.27 -24.25 11.04 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -177.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -66.96 -13.55 61.94 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.1 -22.48 63.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.085 0.469 . . . . 0.0 111.111 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -102.13 149.15 24.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.477 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -88.3 -31.66 18.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.581 0.705 . . . . 0.0 109.425 173.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -99.32 106.77 18.91 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.609 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.0 mm? -111.98 130.63 55.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.94 115.84 26.25 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.6 125.52 59.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.935 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 11.2 t70 -100.11 120.36 39.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.747 178.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 61.67 94.74 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.774 0.797 . . . . 0.0 111.606 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -86.07 -25.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.738 -169.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -19.82 66.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -178.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -83.42 4.6 26.91 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -173.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.0 145.33 30.31 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -80.28 -82.99 0.73 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -151.77 -54.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.755 0.312 . . . . 0.0 110.829 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.98 -36.57 79.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.434 -179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.91 -29.01 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.334 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -71.73 -35.81 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.055 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.94 -34.69 77.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.357 0.599 . . . . 0.0 110.052 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.7 tm? -64.84 -49.55 70.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.009 175.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.87 -45.03 82.76 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.348 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.481 ' HB2' HD13 ' A' ' 135' ' ' LEU . 86.5 t80 -52.0 -47.65 64.83 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.888 175.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 51.1 m -62.77 -35.7 80.69 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.379 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.4 mt -59.53 -49.95 81.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.578 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -60.4 -45.11 94.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.941 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 111' ' ' ARG . 66.9 t30 -64.61 -46.2 83.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.766 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -55.68 -48.45 75.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.004 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.546 ' HE2' ' HB2' ' A' ' 118' ' ' LEU . 17.2 m-30 -62.24 -44.11 97.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 108' ' ' ASN . 0.0 OUTLIER -65.57 -33.45 75.95 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 178.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -70.04 -43.45 71.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.213 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 -36.26 79.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.817 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.85 -9.97 58.59 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -137.94 172.96 12.16 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 123.6 150.16 7.93 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.204 -1.159 . . . . 0.0 110.204 -171.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 24.3 m-85 -116.7 -76.41 0.57 Allowed 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.354 -174.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB2' ' HE2' ' A' ' 110' ' ' PHE . 40.0 tp 70.96 142.12 0.05 Allowed 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.872 0.844 . . . . 0.0 111.406 -179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.42 HD23 HD12 ' A' ' 53' ' ' LEU . 66.8 tp -140.67 127.88 21.0 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.632 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.5 mp -119.71 117.46 28.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.968 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.84 70.99 2.82 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.886 -0.885 . . . . 0.0 110.886 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.2 p -76.87 140.54 40.62 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.223 0.535 . . . . 0.0 111.611 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 1.0 OUTLIER -91.15 -14.38 31.23 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.799 -179.721 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.685 ' HA ' ' HG2' ' A' ' 44' ' ' GLU . 64.0 m-85 -134.23 167.73 20.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.045 0.45 . . . . 0.0 110.82 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.559 HG22 ' CD2' ' A' ' 42' ' ' TRP . 22.5 p -76.83 160.27 77.02 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.594 170.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.07 -17.29 24.28 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.139 1.892 . . . . 0.0 111.257 169.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.84 -34.47 69.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.669 -1.15 . . . . 0.0 111.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -104.67 -4.66 22.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.631 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 125' ' ' THR . 85.0 mt -81.48 132.41 35.32 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.625 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.1 t -91.39 84.08 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.379 0.609 . . . . 0.0 110.026 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.21 176.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.214 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -73.32 148.94 43.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -63.56 -27.08 69.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.79 -176.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.28 -41.36 70.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.047 0.451 . . . . 0.0 109.989 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 ' HB2' ' A' ' 104' ' ' PHE . 62.1 tp -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.269 0.557 . . . . 0.0 109.851 174.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -63.8 -33.44 75.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.359 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 33.4 m -66.94 -39.48 87.31 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.492 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.454 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 16.9 mmt180 -69.22 -14.06 62.76 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.713 -179.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -69.55 -18.46 63.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.149 0.499 . . . . 0.0 110.781 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.97 3.79 40.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.225 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.454 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 23.2 m-85 -93.97 9.58 36.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.323 -179.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 6.7 p -132.68 158.77 41.47 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 120.869 0.366 . . . . 0.0 110.699 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.67 154.18 21.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.799 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.721 ' HA ' ' O ' ' A' ' 40' ' ' TYR . 44.4 t -133.92 128.87 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.952 0.406 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.7 139.68 34.04 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 108.868 172.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . 0.562 ' OE1' ' HG2' ' A' ' 148' ' ' LYS . 7.4 tp10 -84.8 122.62 29.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 0.0 110.081 -177.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.8 -2.48 9.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.969 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.562 ' HG2' ' OE1' ' A' ' 146' ' ' GLU . 19.5 ptpt -88.51 127.11 57.88 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 120.842 0.353 . . . . 0.0 110.298 178.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 5.9 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 123.065 2.51 . . . . 0.0 111.85 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tpt . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.74 87.97 0.18 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.304 -0.95 . . . . 0.0 113.073 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.47 81.38 8.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.97 0.414 . . . . 0.0 110.384 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -109.63 104.47 13.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.354 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -114.43 123.3 49.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.474 -0.784 . . . . 0.0 108.963 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -120.5 154.22 35.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.717 0.294 . . . . 0.0 111.456 -171.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -164.74 143.85 7.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.987 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -166.18 121.5 1.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -122.12 157.7 30.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.418 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -84.28 94.82 8.52 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 174.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.2 mtp -102.44 56.68 0.79 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -169.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' PRO . 36.7 t70 -175.61 106.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.812 0.339 . . . . 0.0 110.379 171.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -109.24 93.2 12.69 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.047 176.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 12' ' ' ASP . 3.4 Cg_exo -80.09 111.1 2.63 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 122.91 2.407 . . . . 0.0 112.305 -177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 p -79.46 118.2 21.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.308 175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -133.57 161.95 33.22 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.196 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -144.18 140.89 29.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.891 ' HG2' HD12 ' A' ' 20' ' ' LEU . 41.9 tttp -164.47 117.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.544 ' CA ' ' HB2' ' A' ' 20' ' ' LEU . 77.6 t80 176.11 93.34 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 -167.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.891 HD12 ' HG2' ' A' ' 18' ' ' LYS . 28.3 mt 58.19 82.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 126.3 1.84 . . . . 0.0 113.05 18.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -167.8 64.74 0.19 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 174.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -128.74 23.57 5.78 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -169.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.08 113.17 12.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.189 -0.604 . . . . 0.0 109.586 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -105.57 0.42 26.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.32 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.58 -32.49 71.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.458 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 34.2 mt-10 -70.13 -38.97 75.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.483 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.3 -39.87 78.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.35 -178.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.2 t -64.84 -33.77 65.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.136 0.493 . . . . 0.0 110.507 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -65.89 -30.14 70.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.162 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 26' ' ' GLU . 65.2 t -67.16 -34.14 67.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.84 -176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.0 mt -54.48 109.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.424 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.602 ' HB2' ' HB1' ' A' ' 55' ' ' ALA . 11.4 ttt180 -113.63 -168.41 1.34 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.193 -174.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -115.45 175.9 5.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.878 -0.146 . . . . 0.0 111.123 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG3' ' HE1' ' A' ' 56' ' ' TRP . 37.1 ttpt -118.46 -76.08 0.58 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -172.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.7 m80 66.04 69.33 0.44 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.01 -167.93 24.18 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.535 -0.84 . . . . 0.0 113.27 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -132.28 -53.48 0.96 Allowed 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 121.087 0.47 . . . . 0.0 109.788 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' O ' ' HB2' ' A' ' 143' ' ' LEU . 67.6 m-85 -106.54 107.45 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 174.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG22 HG13 ' A' ' 41' ' ' VAL . 69.3 mt -129.57 120.92 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.686 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 38.5 t80 -105.47 120.45 41.64 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 170.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG12 ' HB2' ' A' ' 145' ' ' TYR . 9.5 m -118.55 128.77 75.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.59 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -120.14 143.89 47.94 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.05 178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.28 -151.64 23.41 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.907 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -131.94 114.63 14.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.77 0.319 . . . . 0.0 111.004 -177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.27 92.25 2.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 51' ' ' HIS . . . 92.42 19.43 38.42 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.992 -174.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.98 -84.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 123.491 0.717 . . . . 0.0 112.102 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.93 7.34 9.38 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.555 -177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -104.7 137.37 42.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.736 0.303 . . . . 0.0 110.382 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.806 ' HB3' ' HB2' ' A' ' 53' ' ' LEU . 3.3 m -71.69 73.9 0.81 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.558 -179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.464 ' CD2' ' HA3' ' A' ' 46' ' ' GLY . 10.1 m170 -61.43 -38.05 85.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 110.778 179.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 77.3 mt -75.49 -51.27 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.839 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.806 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 6.7 mp -63.89 -44.8 91.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.789 -0.642 . . . . 0.0 112.118 -171.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.67 -42.04 91.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.804 0.335 . . . . 0.0 110.705 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.602 ' HB1' ' HB2' ' A' ' 32' ' ' ARG . . . -66.27 -39.89 89.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.555 0.693 . . . . 0.0 110.864 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.549 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 34.3 t90 -61.18 -42.95 99.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.783 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.5 t -67.55 -46.38 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.761 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.81 -34.62 76.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.567 0.222 . . . . 0.0 111.249 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -68.27 -38.77 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.103 0.477 . . . . 0.0 110.589 177.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.13 -31.4 64.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 65.7 mt -59.01 -48.85 80.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.62 -13.05 60.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 111.391 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.82 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.675 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.29 19.29 69.56 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.144 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -112.38 153.98 26.45 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -77.7 132.43 38.16 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -146.96 136.09 22.51 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.088 -173.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.91 134.45 17.49 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.632 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.6 p90 -111.69 125.95 54.51 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.8 mt -121.22 118.04 54.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.107 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 5.4 p-10 -89.0 120.76 30.7 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -73.74 -2.35 22.97 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.188 -176.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.34 -42.8 16.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.542 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.0 t -115.34 -18.4 11.06 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.118 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 60.0 mtm -122.1 145.76 44.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.089 0.471 . . . . 0.0 111.553 -175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.84 164.05 8.98 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 122.758 2.306 . . . . 0.0 111.662 174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 106' ' ' ILE . 36.1 tp -88.83 144.21 26.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.335 -0.393 . . . . 0.0 109.945 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.6 p -123.38 157.25 33.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 110.69 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.54 -14.76 62.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.027 0.442 . . . . 0.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -24.62 65.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.969 175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.77 -19.77 60.01 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -68.12 -21.99 64.91 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.861 0.363 . . . . 0.0 111.158 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -85.84 -25.02 26.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.215 0.531 . . . . 0.0 110.756 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.85 110.69 19.57 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.829 -178.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.02 -30.39 62.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 0.0 110.225 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 22.2 m-85 -97.87 93.04 6.12 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 172.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 118' ' ' LEU . 42.3 tp -113.06 134.11 54.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.216 0.531 . . . . 0.0 110.57 -176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB1' HD23 ' A' ' 53' ' ' LEU . . . -125.18 126.8 45.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.956 178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.448 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 58.9 t -120.85 117.28 52.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.912 0.387 . . . . 0.0 109.99 -179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.507 ' HB2' HD22 ' A' ' 53' ' ' LEU . 12.2 t70 -101.09 130.42 47.12 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.26 -176.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.581 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 40.3 mt-30 57.4 55.75 5.54 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.189 0.518 . . . . 0.0 111.061 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 p -56.96 -24.49 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.275 -175.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.581 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 56.4 mmtt -85.93 -9.98 55.98 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.879 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 91.0 mt -61.89 139.36 58.38 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.734 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -64.53 -77.14 0.25 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.24 -0.505 . . . . 0.0 113.222 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -153.59 -59.89 0.13 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.687 0.28 . . . . 0.0 110.706 -176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.32 -35.24 78.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -178.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.564 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 2.9 mp0 -67.15 -32.09 72.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.49 -38.53 84.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.132 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.33 75.32 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.278 0.561 . . . . 0.0 110.487 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 106' ' ' ILE . 39.7 tp -67.1 -47.75 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.135 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 135' ' ' LEU . 3.1 tm? -57.9 -44.19 86.61 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.728 176.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -52.63 -46.0 66.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 175.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -64.9 -41.19 95.81 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.498 HD12 HD21 ' A' ' 77' ' ' LEU . 70.3 mt -65.4 -44.92 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.468 178.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -40.71 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.245 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.682 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 59.5 t30 -59.55 -52.24 66.4 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.918 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.479 ' C ' ' HD3' ' A' ' 109' ' ' ARG . 1.1 tmt_? -55.22 -47.2 75.66 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.473 0.483 . . . . 0.0 111.006 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 3.8 m-30 -59.01 -54.59 45.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.459 -178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 38.6 tpt85 -72.23 -28.71 63.34 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.986 -176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.682 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 1.0 OUTLIER -64.52 -44.51 90.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.123 0.487 . . . . 0.0 110.272 178.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.6 t -78.43 -35.5 46.8 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.251 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.73 -28.52 13.81 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.622 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 79.6 tttt -104.86 171.89 7.08 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.426 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 120.21 122.27 2.97 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -176.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 86' ' ' TYR . 69.7 m-85 -98.13 116.82 31.14 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' A' ' 87' ' ' LEU . 17.1 tp -125.17 131.55 53.2 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.268 0.556 . . . . 0.0 110.242 -176.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 53' ' ' LEU . 46.6 tp -123.74 109.65 13.95 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.334 178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.448 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 80.5 mt -108.19 117.74 34.93 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.72 147.59 18.03 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.381 177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.2 t -167.07 162.86 15.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.965 0.412 . . . . 0.0 110.119 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 124' ' ' TYR . 2.3 pm0 -85.01 -21.44 29.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.329 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.406 ' CD2' ' HG2' ' A' ' 123' ' ' GLU . 80.7 m-85 -107.9 178.01 4.65 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.941 0.4 . . . . 0.0 110.661 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 129' ' ' LEU . 19.2 p -101.03 153.86 37.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.757 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.686 ' HD3' ' CE1' ' A' ' 40' ' ' TYR . 58.5 Cg_endo -71.89 -15.02 29.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.754 2.302 . . . . 0.0 111.831 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -75.82 -13.76 60.29 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.865 -176.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -145.62 23.61 1.42 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.303 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 125' ' ' THR . 59.7 mt -67.86 133.99 50.11 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.39 76.92 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 28.1 pt -139.93 -173.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.377 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -58.24 128.35 36.71 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -69.21 -20.42 63.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.096 0.474 . . . . 0.0 109.992 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 9.0 m-20 -58.72 -33.19 69.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.953 171.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.532 ' O ' ' HG2' ' A' ' 139' ' ' MET . 19.5 mt -81.26 -43.36 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.89 176.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -51.88 -42.27 62.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.379 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.4 p -66.99 -32.78 74.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.767 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 14.7 mmt180 -75.89 -24.15 55.62 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.779 0.324 . . . . 0.0 110.788 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.532 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 26.5 mmt -65.85 -18.73 65.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.717 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.83 -5.53 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.215 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 89.6 m-85 -97.44 10.56 39.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.443 0.64 . . . . 0.0 109.773 176.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 48.1 t -124.67 152.56 43.52 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.398 -0.819 . . . . 0.0 108.977 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 38' ' ' PHE . 11.5 mt -76.84 161.33 28.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.376 0.607 . . . . 0.0 111.52 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.8 t -129.92 116.75 38.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.471 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.544 ' HB2' HG12 ' A' ' 41' ' ' VAL . 92.5 m-85 -119.61 122.54 41.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.399 176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -81.01 113.53 19.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.043 176.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 54.7 t -85.01 -34.44 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.944 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 45.3 tttm -115.6 133.41 22.79 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.209 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 11.4 Cg_exo . . . . . 0 C--O 1.247 0.948 0 C-N-CA 122.898 2.399 . . . . 0.0 110.955 172.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.7 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.85 -139.31 15.27 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.283 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 66.1 100.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.262 0.553 . . . . 0.0 111.34 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -107.28 125.73 51.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.215 178.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -110.02 100.56 9.48 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.833 -174.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -117.7 119.43 34.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.639 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -92.67 138.47 31.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.279 -174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -76.75 -43.59 36.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.4 m 74.68 154.24 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 124.167 0.917 . . . . 0.0 112.578 173.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -133.86 74.34 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.239 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.4 mtt -89.64 79.75 6.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.221 0.534 . . . . 0.0 111.28 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -166.96 114.78 0.82 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 8.4 p90 -147.13 132.42 9.12 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-O 121.013 0.435 . . . . 0.0 111.514 -172.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 8.9 Cg_endo -87.83 94.44 0.43 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.425 2.75 . . . . 0.0 112.248 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.4 p -127.29 96.01 4.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.155 178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -141.82 109.39 5.66 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 72.86 -67.83 0.25 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.78 166.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.3 154.48 20.03 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 122.85 0.46 . . . . 0.0 110.753 -177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.921 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 1.0 OUTLIER -132.65 -65.66 0.71 Allowed 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -178.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.921 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 86.5 mt -105.9 106.59 17.16 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 125.883 1.673 . . . . 0.0 108.502 -20.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.508 ' H ' ' HB3' ' A' ' 19' ' ' PHE . . . 64.3 -127.36 34.82 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.461 -0.876 . . . . 0.0 111.197 -174.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 p -132.13 77.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.232 0.539 . . . . 0.0 110.762 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -136.79 100.76 4.4 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' O ' HG23 ' A' ' 28' ' ' VAL . 40.8 m-80 -85.4 10.39 12.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.955 -170.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.46 -40.89 83.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.553 0.216 . . . . 0.0 111.439 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -72.21 -30.54 65.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 110.595 178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 61.5 tp -75.28 -41.82 56.24 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.497 -176.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 24' ' ' ASN . 58.9 t -62.32 -32.89 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.061 0.457 . . . . 0.0 110.28 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.22 -24.42 64.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.269 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.724 HG13 ' HA ' ' A' ' 55' ' ' ALA . 81.8 t -73.85 -34.85 41.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.678 -178.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HB3' ' HD3' ' A' ' 32' ' ' ARG . 10.3 mp -70.86 151.31 44.89 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HD3' ' HB3' ' A' ' 31' ' ' LEU . 0.0 OUTLIER 73.02 123.6 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.517 -179.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -155.73 132.09 10.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -159.23 145.58 16.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 p80 174.64 168.21 0.26 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.008 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -177.46 13.41 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.809 175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -58.91 -85.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.431 0.616 . . . . 0.0 111.954 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' HB2' ' HA ' ' A' ' 142' ' ' CYS . 81.5 m-85 -87.03 114.55 23.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.757 -175.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HE2' ' A' ' 145' ' ' TYR . 50.7 mm -127.43 130.44 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.698 0.285 . . . . 0.0 111.171 -177.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.38 127.05 52.77 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 145' ' ' TYR . 14.0 m -128.18 112.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.208 0.528 . . . . 0.0 111.383 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -119.9 10.19 11.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.653 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' HA3' ' H ' ' A' ' 147' ' ' VAL . . . -66.38 -23.8 71.94 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.506 -174.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 63.58 86.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 122.812 0.445 . . . . 0.0 111.44 -175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -90.99 142.94 27.24 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 175.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -54.07 -52.54 42.79 Favored Glycine 0 C--N 1.329 0.187 0 O-C-N 123.481 0.488 . . . . 0.0 113.332 -175.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.93 10.32 29.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.824 0.312 . . . . 0.0 111.515 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -135.54 42.61 1.32 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.124 -175.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -84.24 85.32 7.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.52 -0.4 . . . . 0.0 110.649 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.421 ' HA ' HD13 ' A' ' 53' ' ' LEU . 38.6 m 68.87 -2.39 1.75 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.187 176.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -73.26 -33.31 65.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 0.0 110.727 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.57 -26.95 68.63 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.087 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 50' ' ' SER . 6.9 mp -65.29 -38.72 91.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.156 0.503 . . . . 0.0 110.191 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.92 -43.35 96.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.724 ' HA ' HG13 ' A' ' 30' ' ' VAL . . . -61.78 -44.81 96.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.043 179.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 41.5 t90 -59.42 -44.38 92.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.01 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 69' ' ' TYR . 61.3 t -64.92 -46.52 91.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.526 -178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.29 -37.99 82.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.769 0.319 . . . . 0.0 111.187 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.45 -36.59 81.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.345 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.97 -35.54 76.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.142 0.496 . . . . 0.0 110.182 177.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.9 mt -62.68 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.503 175.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.55 -21.73 62.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.8 1.77 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.26 32.18 60.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.552 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -122.05 161.06 23.7 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.573 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 47.7 t30 -86.97 133.05 33.62 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -153.8 147.84 25.64 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.611 -175.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.21 135.53 10.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.447 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 88' ' ' ALA . 43.1 p90 -107.37 131.38 54.31 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 69.3 mt -121.91 124.67 71.89 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.795 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 2.8 m-20 -82.57 106.03 14.09 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 174.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.24 -17.8 44.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.932 0.396 . . . . 0.0 111.716 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -114.36 39.82 2.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.849 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.487 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 23.1 t -165.68 -32.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.934 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 73.8 mtm -131.05 144.38 53.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.245 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.27 157.94 29.72 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.544 2.163 . . . . 0.0 112.545 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 102' ' ' LEU . 34.8 tp -93.65 143.95 25.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.4 p -139.89 157.91 44.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.023 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -68.69 -14.1 62.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.225 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.3 -25.79 62.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.781 0.324 . . . . 0.0 110.667 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.05 -21.7 61.73 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.843 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -70.48 -17.81 62.97 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.698 0.285 . . . . 0.0 111.08 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.39 -20.14 34.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.38 0.609 . . . . 0.0 110.497 177.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -85.69 137.4 32.85 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.206 -179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -90.68 -29.5 17.68 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.463 0.649 . . . . 0.0 110.158 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 74.1 m-85 -112.88 100.61 8.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.64 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -104.58 133.27 49.72 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.627 178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.564 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -126.03 122.95 37.32 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.634 175.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.441 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 47.0 t -120.91 124.5 72.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.898 0.38 . . . . 0.0 110.32 -177.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -112.91 148.96 33.89 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.493 ' OE1' ' HB3' ' A' ' 73' ' ' ALA . 34.4 mt-30 63.58 35.31 11.81 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 123.7 0.625 . . . . 0.0 110.065 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.711 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 11.8 p -65.21 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.956 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.598 ' HA ' HD21 ' A' ' 129' ' ' LEU . 34.2 mm-40 -65.99 -12.42 54.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.193 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -101.19 14.5 31.76 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -173.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 92' ' ' VAL . 75.1 mt -56.05 134.85 52.84 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.713 0.292 . . . . 0.0 111.28 -179.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.09 -89.79 1.73 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.968 -176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -129.27 -70.63 0.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.689 -0.301 . . . . 0.0 110.612 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -62.04 -31.65 72.08 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.235 0.541 . . . . 0.0 110.472 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.491 ' HB3' HD22 ' A' ' 95' ' ' LEU . 16.8 mp0 -64.06 -40.25 95.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.78 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -65.16 -45.36 85.25 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.885 0.374 . . . . 0.0 110.302 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.42 -43.88 97.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.091 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -67.18 -48.37 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.122 0.487 . . . . 0.0 109.709 -179.608 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 0.9 OUTLIER -54.96 -44.61 74.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.716 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -52.83 -48.95 66.64 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.287 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -63.12 -34.48 77.71 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.286 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 102' ' ' LEU . 65.2 mt -62.11 -46.89 95.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.571 177.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.558 ' HE1' ' HG ' ' A' ' 118' ' ' LEU . 3.1 m-30 -64.77 -32.86 74.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.023 177.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -67.43 -39.51 85.45 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.29 -44.28 97.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.113 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.48 -50.45 72.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.603 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -42.48 99.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.363 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -41.13 82.92 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.053 -176.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.7 t -98.71 -26.42 14.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.916 0.388 . . . . 0.0 111.375 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.2 20.31 67.52 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -173.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG2' ' H ' ' A' ' 116' ' ' GLY . 68.9 tttt -114.0 174.16 6.08 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.075 -0.563 . . . . 0.0 109.516 -174.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.448 ' H ' ' HG2' ' A' ' 115' ' ' LYS . . . 87.78 166.76 42.78 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.135 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.47 -69.4 0.85 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.559 -0.163 . . . . 0.0 110.559 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.558 ' HG ' ' HE1' ' A' ' 107' ' ' PHE . 1.4 tm? 75.54 126.7 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 124.419 1.074 . . . . 0.0 110.039 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 118' ' ' LEU . 59.2 tp -129.1 130.29 46.29 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.869 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.441 ' CD2' ' HB ' ' A' ' 89' ' ' VAL . 95.6 mt -121.91 122.47 39.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.962 0.41 . . . . 0.0 111.041 -179.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -89.95 -103.72 1.15 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 m 65.06 -154.67 0.28 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.395 0.617 . . . . 0.0 112.069 172.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 93' ' ' GLU . 1.1 tm-20 -149.8 166.48 29.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 66.96 -163.23 0.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.276 0.489 . . . . 0.0 109.856 -173.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 12.8 p -129.57 152.74 80.2 Favored Pre-proline 0 C--N 1.322 -0.602 0 O-C-N 121.955 -0.466 . . . . 0.0 110.689 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.708 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 38.0 Cg_endo -68.66 -18.39 42.53 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.576 2.184 . . . . 0.0 111.852 -176.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.83 -19.39 60.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.265 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -90.89 -8.36 49.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.227 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 93' ' ' GLU . 32.8 mt -68.65 134.11 49.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.41 0.624 . . . . 0.0 112.236 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 42.0 t -90.36 82.94 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.822 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 26.1 pt -135.81 -174.36 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.005 -175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 132' ' ' ARG . 29.3 mmt-85 -54.1 132.06 42.13 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -59.17 -38.17 79.11 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.42 -38.1 73.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.565 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.5 tp -81.51 -37.05 28.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.125 -176.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.2 -27.74 62.74 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.434 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 21.5 p -67.82 -34.71 77.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.081 0.467 . . . . 0.0 109.956 175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -68.62 -31.77 71.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.538 174.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.708 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 24.8 mmt -67.31 -20.48 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.72 8.42 10.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.736 -177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -89.53 -12.19 40.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.522 0.201 . . . . 0.0 111.369 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 38' ' ' PHE . 28.3 p -87.95 141.76 28.33 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.1 0.476 . . . . 0.0 110.677 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.0 mp -79.72 154.24 28.71 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.214 173.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.4 t -117.71 116.13 50.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.376 . . . . 0.0 110.329 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.53 ' HB2' HG12 ' A' ' 41' ' ' VAL . 36.2 m-85 -107.42 120.72 42.96 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.929 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -83.83 113.44 20.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.652 174.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.423 ' H ' ' HA3' ' A' ' 43' ' ' GLY . 28.4 t -102.29 100.45 10.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 -174.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 27.3 tptp 60.12 89.31 0.11 Allowed Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 123.841 0.713 . . . . 0.0 112.003 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 123.068 2.512 . . . . 0.0 111.641 175.869 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.988 0.423 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.34 50.28 0.41 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.712 -178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 67.52 177.65 0.24 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.433 0.635 . . . . 0.0 111.819 179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -134.35 116.52 15.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.132 174.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -120.52 94.74 4.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.456 0.646 . . . . 0.0 111.598 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -109.44 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.895 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -144.83 133.31 21.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.158 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -111.62 148.57 33.06 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 10' ' ' HIS . 20.0 p -147.76 78.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 111.816 -177.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 9' ' ' SER . 10.1 t60 174.17 98.22 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.438 174.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -142.18 7.51 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.956 -0.298 . . . . 0.0 111.756 -177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -98.17 112.02 24.14 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.713 -176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -129.55 108.42 17.36 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.977 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -81.61 116.52 2.92 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.846 2.364 . . . . 0.0 111.963 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -150.91 90.08 1.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.231 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -141.51 125.27 16.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.332 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -147.53 135.72 21.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.761 0.315 . . . . 0.0 110.193 176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.759 ' HB2' ' HG ' ' A' ' 20' ' ' LEU . 21.5 ptmt -177.17 173.83 1.74 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.163 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.923 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 28.0 m-85 -127.86 -59.85 1.18 Allowed 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 174.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.923 ' HA ' ' HB2' ' A' ' 19' ' ' PHE . 13.0 mt -113.24 -176.0 2.8 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.086 1.354 . . . . 0.0 109.325 -14.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.11 149.98 24.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.865 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.769 HG22 ' HG3' ' A' ' 23' ' ' GLU . 56.3 m -157.33 133.88 9.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 122.215 0.206 . . . . 0.0 110.476 177.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' HG3' HG22 ' A' ' 22' ' ' THR . 45.4 mt-10 66.9 110.42 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.82 0.7 . . . . 0.0 112.255 176.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' HG23 ' A' ' 28' ' ' VAL . 53.6 m-80 -88.83 15.52 8.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.975 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.65 -39.58 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.548 -178.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 30' ' ' VAL . 36.7 mt-10 -69.96 -27.03 64.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.444 -177.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 43.0 tp -72.68 -45.13 60.41 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.232 175.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 24' ' ' ASN . 60.5 t -60.89 -36.36 71.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.342 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.76 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -56.93 -45.54 82.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.269 176.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 26' ' ' GLU . 59.7 t -69.14 -40.19 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -172.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 94.5 mt -48.36 98.88 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.309 1.226 . . . . 0.0 114.309 -168.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.776 ' H ' ' HB1' ' A' ' 55' ' ' ALA . 67.1 mmt-85 -135.52 170.47 15.9 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 173.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -165.99 -17.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -55.25 101.4 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -157.83 -171.34 3.5 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.266 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -107.08 -146.95 13.47 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.512 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 44.5 tt0 -92.91 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 110.631 -178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -105.33 104.36 14.07 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -123.6 122.85 65.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.997 0.427 . . . . 0.0 111.831 -173.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -111.18 123.15 49.63 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.564 173.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 145' ' ' TYR . 28.8 m -115.44 133.27 62.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.129 0.49 . . . . 0.0 109.815 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -105.51 16.98 24.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 -175.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.699 ' HA3' HG11 ' A' ' 147' ' ' VAL . . . -142.82 119.62 1.42 Allowed Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.257 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -68.72 151.66 46.36 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 176.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -58.29 -34.59 70.7 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -173.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.84 65.2 0.13 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.867 -0.683 . . . . 0.0 111.636 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 71.58 24.5 3.54 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 124.195 0.585 . . . . 0.0 110.366 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.92 -28.34 21.27 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.5 tptt 60.24 82.22 0.16 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-N 114.925 -0.637 . . . . 0.0 112.304 173.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER 59.57 20.17 8.7 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.949 172.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.62 -26.92 58.22 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.277 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.539 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.2 mp -73.27 -49.59 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.568 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -67.59 -34.09 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.437 0.637 . . . . 0.0 110.099 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.776 ' HB1' ' H ' ' A' ' 32' ' ' ARG . . . -56.09 -48.21 76.55 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.63 175.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.416 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 42.8 t90 -58.1 -35.66 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.392 -179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.524 HG21 ' HB3' ' A' ' 69' ' ' TYR . 79.5 t -69.93 -55.4 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.272 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . -61.04 -38.37 85.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.942 -174.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -66.43 -40.58 89.57 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.99 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.964 0.411 . . . . 0.0 110.346 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 58' ' ' ALA . 79.8 mt -59.76 -46.42 89.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.934 176.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -70.43 -26.53 63.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.854 0.359 . . . . 0.0 111.043 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.24 -7.29 48.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.487 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.46 13.04 42.8 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.712 -0.756 . . . . 0.0 111.708 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -107.39 179.23 4.31 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 109.879 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 64.2 t30 -110.08 134.57 52.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.775 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 86' ' ' TYR . . . -150.95 150.42 30.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 -177.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -150.58 138.02 19.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.605 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.524 ' HB3' HG21 ' A' ' 57' ' ' VAL . 51.0 p90 -104.94 136.16 44.94 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.9 mt -126.98 116.93 46.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.496 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.15 94.87 7.34 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 176.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . -70.92 -7.03 42.95 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -170.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.96 40.88 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.077 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -129.9 -15.74 3.8 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.025 0.441 . . . . 0.0 111.337 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 87.3 mtp -123.76 150.95 63.4 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.246 -176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 31.1 Cg_endo -91.84 155.04 3.39 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 122.935 2.423 . . . . 0.0 111.896 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.92 143.96 29.5 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 176.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 38.7 p -133.06 171.13 14.4 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.042 0.449 . . . . 0.0 111.094 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -74.06 -12.85 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.084 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.48 -24.81 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.872 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.38 -26.11 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.862 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 63.7 m-85 -66.47 -20.2 65.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.694 0.283 . . . . 0.0 111.478 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -82.08 -21.83 36.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.084 0.468 . . . . 0.0 111.354 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.498 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -84.17 144.46 28.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.375 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -84.86 -32.91 22.98 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.866 176.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 19.5 m-85 -116.39 113.7 23.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.336 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.539 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.5 mm? -110.0 120.85 43.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.872 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.35 115.68 25.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.886 175.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.11 123.74 68.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.735 -177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.93 116.05 28.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.422 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 1.9 mp0 57.62 72.36 0.52 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.245 0.618 . . . . 0.0 111.488 -174.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.525 HG12 ' OG ' ' A' ' 122' ' ' SER . 8.0 p -70.23 -17.94 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-O 121.036 0.446 . . . . 0.0 111.222 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HB3' HD13 ' A' ' 129' ' ' LEU . 5.3 pm0 -73.6 -7.69 52.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.114 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 32.0 mmmt -84.25 -3.64 58.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 111.25 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 88.3 mt -75.94 140.5 42.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.664 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -79.31 -84.83 0.59 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.287 -0.482 . . . . 0.0 113.755 -173.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -129.47 -70.2 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 111.464 -172.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.0 -36.6 84.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.298 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.7 mp0 -60.09 -36.93 78.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.981 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.516 ' OE1' ' HG3' ' A' ' 132' ' ' ARG . 67.7 mt-30 -71.29 -34.62 70.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.682 0.277 . . . . 0.0 110.372 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.5 -33.13 72.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.178 0.513 . . . . 0.0 110.08 176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.0 OUTLIER -65.91 -48.72 70.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.404 176.242 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.681 HD12 HD11 ' A' ' 135' ' ' LEU . 2.8 tm? -55.07 -45.29 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.884 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.502 ' HD1' ' HG3' ' A' ' 138' ' ' ARG . 42.4 t80 -52.36 -50.57 62.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.123 174.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.505 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 7.5 t -60.74 -38.36 84.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.746 -177.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 102' ' ' LEU . 76.3 mt -58.12 -52.38 59.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.427 176.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -58.8 -43.43 90.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -63.0 -53.58 51.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.884 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.34 -40.86 96.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.712 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.4 -38.42 87.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.695 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HD3' ' HA ' ' A' ' 111' ' ' ARG . 26.4 mmt180 -74.98 -26.13 59.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.547 178.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.69 -41.99 91.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.977 0.418 . . . . 0.0 110.058 175.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -78.73 -40.78 32.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.053 178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.83 -19.33 52.68 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' A' ' 115' ' ' LYS . 2.3 tmmt? -106.65 173.47 6.3 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 105.44 144.38 12.52 Favored Glycine 0 C--N 1.32 -0.341 0 C-N-CA 121.047 -0.596 . . . . 0.0 111.619 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 71.5 m-85 -120.46 140.87 50.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.767 0.318 . . . . 0.0 110.715 -175.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.539 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -137.87 130.19 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.413 -176.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.03 115.39 18.41 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.927 0.394 . . . . 0.0 109.98 175.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.53 122.9 49.01 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.658 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -114.4 105.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.49 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.525 ' OG ' HG12 ' A' ' 92' ' ' VAL . 44.6 m -129.12 -179.28 5.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.052 0.453 . . . . 0.0 111.647 -175.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 124' ' ' TYR . 7.7 tp10 -102.99 112.51 25.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.02 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.46 ' CD2' ' HG3' ' A' ' 123' ' ' GLU . 40.1 m-85 72.73 -176.8 0.18 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.292 0.637 . . . . 0.0 111.758 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 33.0 p -85.21 155.1 60.45 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.82 -173.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -58.73 -22.59 62.06 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.505 2.803 . . . . 0.0 113.909 -175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 127' ' ' GLN . 1.7 mp0 -80.61 -19.08 46.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.965 0.412 . . . . 0.0 111.039 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -92.78 -14.27 28.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.096 0.474 . . . . 0.0 109.925 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 93' ' ' GLU . 96.9 mt -91.48 134.84 34.3 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.404 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.6 t -92.23 89.21 2.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 0.0 110.23 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.44 -175.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.4 178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.516 ' HG3' ' OE1' ' A' ' 100' ' ' GLN . 48.2 mtp180 -63.46 132.04 50.09 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.34 -42.43 77.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.875 -172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.72 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 30.7 t70 -63.54 -39.67 95.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.46 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.681 HD11 HD12 ' A' ' 103' ' ' LEU . 58.7 tp -64.91 -35.52 81.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -61.17 -40.84 95.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.189 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.7 t -76.85 -20.59 56.13 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.828 -178.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 23.8 mmt180 -77.24 -23.5 51.29 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 120.997 0.427 . . . . 0.0 110.133 175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 23.5 mmt -62.68 -20.8 65.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.84 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -74.27 -4.74 37.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.266 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -92.69 18.64 8.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.055 0.455 . . . . 0.0 111.26 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 28.9 p -136.48 162.83 31.98 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 171.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.03 154.38 22.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 61.1 t -119.25 117.24 53.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 120.844 0.354 . . . . 0.0 110.139 -178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.427 ' HB2' HG12 ' A' ' 41' ' ' VAL . 4.1 m-30 -98.25 123.73 42.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.465 176.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -81.2 126.14 31.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.828 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.699 HG11 ' HA3' ' A' ' 43' ' ' GLY . 10.6 p -79.72 -23.11 12.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.617 -177.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 98.0 mttt -84.38 122.38 75.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.147 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 2.1 Cg_endo . . . . . 0 C--O 1.249 1.054 0 C-N-CA 122.708 2.272 . . . . 0.0 110.719 175.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.76 74.44 0.41 Allowed Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.799 -176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -69.7 90.37 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.007 0.432 . . . . 0.0 110.518 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -145.1 144.78 31.12 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.468 ' O ' ' HB2' ' A' ' 6' ' ' HIS . 54.3 t-80 -107.99 -32.08 7.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.945 -178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' HIS . 22.3 m-70 72.89 155.65 0.16 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.778 0.674 . . . . 0.0 111.652 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -137.82 103.81 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.569 174.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -93.52 121.65 35.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.99 0.424 . . . . 0.0 110.366 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -85.17 154.37 22.04 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.303 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -132.49 109.18 9.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.584 174.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.4 ttt -104.47 119.89 40.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 -177.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -112.61 142.12 45.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.402 -174.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -118.23 90.35 37.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -101.11 174.87 0.28 Allowed 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 123.413 2.742 . . . . 0.0 113.675 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.4 m 61.47 91.2 0.06 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.426 172.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -147.1 109.03 4.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.189 172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -155.29 138.78 15.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.052 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.819 ' HB2' HD12 ' A' ' 20' ' ' LEU . 59.6 pttt -110.39 128.44 55.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.903 0.382 . . . . 0.0 111.284 -177.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.778 ' HA ' ' HB2' ' A' ' 20' ' ' LEU . 37.0 t80 172.07 88.87 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 -177.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD12 ' HB2' ' A' ' 18' ' ' LYS . 45.7 mt 69.02 100.03 0.06 Allowed 'General case' 0 C--O 1.231 0.091 0 C-N-CA 127.113 2.165 . . . . 0.0 112.116 20.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.12 155.63 7.82 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.955 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -155.16 146.69 23.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.452 0.626 . . . . 0.0 111.334 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -126.8 132.24 51.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.673 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.507 ' O ' HG23 ' A' ' 28' ' ' VAL . 30.8 p-10 -93.65 16.25 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -171.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.79 -51.11 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.6 mt-10 -66.0 -29.7 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.842 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 27' ' ' LEU . 3.5 mm? -73.72 -32.4 63.87 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.98 -178.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 24' ' ' ASN . 65.3 t -66.95 -38.76 82.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 174.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.47 -26.16 67.81 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.812 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.827 ' O ' ' HA ' ' A' ' 55' ' ' ALA . 99.1 t -70.12 -32.04 49.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.449 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.35 -179.66 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 75.37 -164.56 0.07 Allowed 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.584 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 75.31 93.74 0.07 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.035 0.934 . . . . 0.0 111.825 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -81.36 178.85 8.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.108 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' HD21 ' A' ' 119' ' ' LEU . 4.6 p80 -177.46 -28.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 174.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.34 -176.35 19.67 Favored Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.043 -1.075 . . . . 0.0 113.057 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.429 ' HG3' ' CD2' ' A' ' 117' ' ' PHE . 56.0 tt0 -80.28 -77.11 0.2 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.608 0.363 . . . . 0.0 111.933 -176.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.18 99.41 11.38 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 119' ' ' LEU . 50.6 mm -121.73 124.04 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.14 0.495 . . . . 0.0 111.313 -174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.464 ' CE1' ' HD3' ' A' ' 126' ' ' PRO . 56.9 t80 -109.98 125.3 52.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.221 174.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.9 143.34 40.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -133.39 53.48 2.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.572 0.701 . . . . 0.0 110.367 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.84 107.23 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.15 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -62.19 142.28 57.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.429 . . . . 0.0 111.796 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -175.33 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.532 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.12 -99.47 0.17 Allowed Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.813 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.6 101.45 3.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.889 0.375 . . . . 0.0 110.178 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.09 121.67 2.54 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.951 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -134.74 -74.85 0.46 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.645 ' HA ' HD13 ' A' ' 53' ' ' LEU . 34.7 m 60.72 5.51 0.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 116.013 1.857 . . . . 0.0 116.013 161.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.478 ' HA ' ' HG2' ' A' ' 54' ' ' GLN . 7.3 p-80 -64.49 -32.8 74.58 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.959 1.254 . . . . 0.0 111.356 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' HD12 ' A' ' 53' ' ' LEU . 3.1 pp -76.39 -26.11 55.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.619 176.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 50' ' ' SER . 8.3 mp -74.46 -47.72 31.78 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.656 176.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 51' ' ' HIS . 12.1 pt20 -63.28 -39.18 93.86 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.111 -174.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.827 ' HA ' ' O ' ' A' ' 30' ' ' VAL . . . -58.0 -40.78 81.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.66 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.477 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 52.1 t90 -69.76 -41.84 74.64 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.646 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.515 HG13 ' HB1' ' A' ' 67' ' ' ALA . 72.4 t -62.94 -51.54 70.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.867 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.83 85.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.305 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -63.16 -39.0 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.397 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.71 -35.76 77.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.598 178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.7 mt -60.12 -49.37 77.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.188 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -76.91 -7.82 56.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.16 0.505 . . . . 0.0 111.185 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.12 59.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.267 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.62 24.22 39.88 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.397 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -109.51 159.7 16.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -87.34 132.35 33.97 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 175.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 57' ' ' VAL . . . -157.7 141.31 15.62 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.749 -174.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -155.82 140.75 17.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.497 ' HB3' HG21 ' A' ' 57' ' ' VAL . 50.9 p90 -118.42 132.79 56.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.8 mt -120.99 128.25 76.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 74' ' ' SER . 1.7 m-20 -91.73 109.28 20.59 Favored 'General case' 0 CA--C 1.512 -0.482 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.7 -15.65 21.25 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -173.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.25 -3.21 34.72 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 71' ' ' ASP . 33.4 t -125.98 -29.9 3.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.28 0.562 . . . . 0.0 110.547 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 78.9 mtm -136.05 144.23 47.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.034 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.38 163.0 17.21 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.344 2.029 . . . . 0.0 111.616 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB3' ' HB3' ' A' ' 99' ' ' GLU . 37.0 tp -86.34 144.19 27.49 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.2 p -123.84 161.29 25.6 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.765 -175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -74.84 -18.71 60.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.019 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.68 -24.49 66.79 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.012 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.24 -18.1 56.67 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.835 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -64.14 -27.5 69.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.856 0.36 . . . . 0.0 111.453 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -78.67 -24.74 44.94 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.275 0.56 . . . . 0.0 110.67 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' HB3' HD23 ' A' ' 87' ' ' LEU . . . -72.67 119.74 17.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.424 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -75.39 -33.72 61.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.767 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.481 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 10.5 m-85 -111.83 100.55 9.01 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 176.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' A' ' 84' ' ' ALA . 1.5 tm? -116.0 130.55 56.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.0 110.463 -173.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 69' ' ' TYR . . . -130.56 136.04 48.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.89 133.52 58.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.829 0.347 . . . . 0.0 110.483 178.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -106.95 136.71 46.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.249 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 65.56 42.16 3.81 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.631 0.582 . . . . 0.0 111.183 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.713 HG21 HD22 ' A' ' 120' ' ' LEU . 21.3 t -55.04 -30.64 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.732 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.02 -32.65 66.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.923 0.392 . . . . 0.0 111.703 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.17 19.62 1.79 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -172.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 87.8 mt -80.31 138.59 36.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 170.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -96.92 69.91 0.81 Allowed Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.708 -0.758 . . . . 0.0 114.055 -172.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 36.6 t30 70.89 -60.22 0.51 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.112 0.565 . . . . 0.0 112.145 175.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.71 -53.29 53.5 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 122.342 0.257 . . . . 0.0 111.08 -176.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.4 mp0 -67.64 -28.9 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -68.14 -42.18 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.075 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -66.97 -31.94 72.85 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.343 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 106' ' ' ILE . 1.2 tm? -66.2 -49.3 67.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.379 174.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.56 -44.05 76.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.298 176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.577 ' HD1' ' HG ' ' A' ' 135' ' ' LEU . 77.1 t80 -55.62 -42.43 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.745 176.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 108' ' ' ASN . 7.0 t -69.26 -31.51 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.458 179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 102' ' ' LEU . 71.2 mt -62.53 -45.41 98.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.942 174.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.84 -41.58 82.6 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.092 0.472 . . . . 0.0 109.975 173.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 36.1 t30 -58.45 -53.83 53.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.469 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.06 -35.84 79.84 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.146 -175.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CD1' ' HA3' ' A' ' 116' ' ' GLY . 20.8 m-30 -68.77 -54.41 16.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.916 0.388 . . . . 0.0 110.477 178.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.55 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.241 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -66.41 -46.21 77.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.824 -175.003 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.9 p -82.03 -43.16 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.503 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 104.27 -2.82 43.54 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -174.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -113.77 173.22 6.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.567 ' HA3' ' CD1' ' A' ' 110' ' ' PHE . . . 103.64 143.42 12.68 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.895 -178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 37' ' ' GLN . 76.9 m-85 -127.27 127.14 43.89 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.449 HD13 ' HE2' ' A' ' 110' ' ' PHE . 22.1 tp -126.01 138.0 53.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.278 0.561 . . . . 0.0 111.126 -175.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.564 HD21 ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -128.79 122.75 31.22 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.35 177.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.713 HD22 HG21 ' A' ' 92' ' ' VAL . 89.6 mt -121.42 127.19 50.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.863 0.363 . . . . 0.0 111.168 -176.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -111.54 146.57 17.87 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 174.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.6 t -160.53 -178.77 7.12 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.192 0.496 . . . . 0.0 110.627 -178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -103.45 -14.56 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.987 -177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -133.94 -175.46 3.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.296 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.432 ' HB ' ' HD2' ' A' ' 126' ' ' PRO . 6.6 p -74.81 155.18 87.02 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.287 175.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.71 ' HB2' ' HB3' ' A' ' 139' ' ' MET . 37.1 Cg_endo -63.89 -30.48 67.69 Favored 'Trans proline' 0 N--CA 1.473 0.315 0 C-N-CA 122.99 2.46 . . . . 0.0 113.898 -169.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -96.33 -4.46 42.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.721 0.296 . . . . 0.0 111.088 -176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -101.23 -6.21 24.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.313 0.578 . . . . 0.0 109.765 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 125' ' ' THR . 96.1 mt -71.31 139.04 49.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.187 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.46 79.98 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.583 0.706 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.8 pt -131.79 -173.61 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 114.878 -1.056 . . . . 0.0 109.538 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.605 ' HB2' ' HB2' ' A' ' 135' ' ' LEU . 4.5 mmp_? -47.73 130.64 14.61 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.562 0.539 . . . . 0.0 110.456 176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 136' ' ' ARG . 37.2 tt0 -65.38 -34.01 77.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.147 -175.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -72.09 -42.44 66.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 132' ' ' ARG . 3.7 tt -61.84 -38.83 89.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.074 -175.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 133' ' ' GLU . 16.9 ptp180 -65.02 -22.08 66.94 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 p -80.43 -30.43 37.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.23 0.538 . . . . 0.0 109.864 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.403 ' HG3' ' HE1' ' A' ' 104' ' ' PHE . 30.8 mmt180 -67.68 -19.5 65.18 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.465 0.65 . . . . 0.0 109.791 178.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.71 ' HB3' ' HB2' ' A' ' 126' ' ' PRO . 21.0 mmt -64.15 -19.01 65.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.212 178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.76 -5.09 46.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.645 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -74.71 -26.25 59.69 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.687 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 21.4 p -103.23 162.41 13.01 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.04 0.448 . . . . 0.0 110.65 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.2 153.81 24.55 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.918 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 46.2 t -118.47 116.56 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.063 0.459 . . . . 0.0 109.834 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -120.65 129.74 53.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.455 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.11 125.84 48.91 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 173.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.417 ' O ' ' HD3' ' A' ' 149' ' ' PRO . 12.6 m -129.86 43.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.112 -174.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -96.71 111.88 58.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.707 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 147' ' ' VAL . 4.8 Cg_exo . . . . . 0 C--O 1.245 0.869 0 C-N-CA 123.021 2.48 . . . . 0.0 110.851 173.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.782 0.325 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -162.23 160.18 32.33 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -126.27 -29.34 3.01 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.922 0.391 . . . . 0.0 110.755 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -107.02 144.33 33.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.707 -178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -171.96 113.65 0.33 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.565 172.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -102.65 172.68 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -84.67 113.35 21.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.03 0.443 . . . . 0.0 110.408 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -87.96 177.68 6.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.48 175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.4 m -110.26 -86.27 0.54 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.65 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 178.04 84.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.6 mtp -106.41 82.27 1.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.799 0.333 . . . . 0.0 110.592 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -174.31 178.28 2.06 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.282 -176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 51.4 t80 -176.09 113.44 0.26 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 114.871 -1.059 . . . . 0.0 108.452 173.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 23.9 Cg_exo -63.66 90.5 0.15 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.912 2.408 . . . . 0.0 112.673 -175.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -157.08 85.26 0.94 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.504 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -165.03 93.88 0.63 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -114.95 92.33 3.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.062 -178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -151.43 109.08 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.336 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.671 ' HA ' ' C ' ' A' ' 20' ' ' LEU . 37.8 t80 -175.57 72.5 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.671 ' C ' ' HA ' ' A' ' 19' ' ' PHE . 45.0 mt 39.71 70.11 0.25 Allowed 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.774 2.03 . . . . 0.0 113.275 10.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -128.02 102.51 0.59 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.149 -175.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.6 t -92.9 139.28 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.331 -0.988 . . . . 0.0 108.331 171.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 66.02 118.72 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.672 0.608 . . . . 0.0 109.86 -167.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 28' ' ' VAL . 85.8 m-20 -94.64 21.89 6.86 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -172.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.07 72.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.635 0.255 . . . . 0.0 111.013 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 30' ' ' VAL . 38.2 mt-10 -67.81 -26.26 65.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.69 177.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.86 -43.87 82.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.274 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 24' ' ' ASN . 57.8 t -63.1 -33.89 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.029 0.443 . . . . 0.0 110.07 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -63.32 -32.89 74.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.602 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.72 HG13 ' HA ' ' A' ' 55' ' ' ALA . 79.2 t -74.93 -34.5 32.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.28 179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.75 114.48 1.72 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.117 0.485 . . . . 0.0 111.327 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.9 162.13 22.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.833 -176.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -97.53 37.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 pttm 46.29 -162.72 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.288 1.035 . . . . 0.0 112.831 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -151.92 -169.02 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.476 -177.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.3 -161.73 18.75 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.957 -0.639 . . . . 0.0 111.673 173.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 22.9 mt-30 -79.31 -73.46 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.946 0.373 . . . . 0.0 110.907 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' HB3' ' SG ' ' A' ' 142' ' ' CYS . 99.4 m-85 -102.31 99.74 9.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.143 0.497 . . . . 0.0 110.511 -176.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 49.2 mm -122.87 118.29 54.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.258 -175.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -105.39 123.79 48.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 173.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.59 118.85 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.152 0.501 . . . . 0.0 110.032 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -106.51 153.63 22.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.135 -178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 161.87 -113.98 0.59 Allowed Glycine 0 N--CA 1.439 -1.118 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.304 178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' A' ' 45' ' ' GLU . 16.2 tt0 -159.92 -169.02 2.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 -172.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.779 ' HB2' ' HD3' ' A' ' 49' ' ' LYS . 8.1 pt-20 -72.01 151.91 42.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.024 0.44 . . . . 0.0 110.514 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.43 -142.99 9.37 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 51' ' ' HIS . . . -66.3 -14.47 62.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 111.359 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.434 ' HA2' HD12 ' A' ' 52' ' ' LEU . . . -69.55 -31.63 70.96 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.53 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.779 ' HD3' ' HB2' ' A' ' 45' ' ' GLU . 46.9 mtmt -66.09 106.98 1.76 Allowed 'General case' 0 C--O 1.236 0.392 0 C-N-CA 122.161 0.184 . . . . 0.0 110.913 -176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.0 m 68.0 -45.94 0.51 Allowed 'General case' 0 CA--C 1.542 0.667 0 O-C-N 124.066 0.854 . . . . 0.0 112.943 177.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.554 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 94.5 m-70 -57.3 -53.05 62.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.346 0.499 . . . . 0.0 112.346 -172.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD12 ' HA2' ' A' ' 48' ' ' GLY . 64.8 mt -64.09 -33.55 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.236 -177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 90' ' ' ASP . 7.2 mp -72.16 -45.56 59.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.606 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.95 -42.39 99.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.72 ' HA ' HG13 ' A' ' 30' ' ' VAL . . . -61.28 -42.65 99.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.049 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 86' ' ' TYR . 43.6 t90 -71.14 -40.53 71.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.979 -177.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 69' ' ' TYR . 42.1 t -68.22 -47.44 78.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.502 -179.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.81 99.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -69.36 -31.17 69.41 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.568 -178.303 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.59 -35.89 65.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.018 0.437 . . . . 0.0 110.517 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 50.0 mt -59.48 -47.28 86.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.158 177.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -77.22 -9.34 58.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.916 0.388 . . . . 0.0 111.102 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 -4.16 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.49 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 93.78 14.99 51.21 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.555 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.9 159.24 18.56 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.528 ' HB3' ' HA ' ' A' ' 84' ' ' ALA . 57.7 t30 -92.93 133.7 35.85 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -144.69 149.55 35.82 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.493 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.92 131.46 13.04 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' HB3' HG21 ' A' ' 57' ' ' VAL . 46.5 p90 -109.37 131.09 55.39 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 175.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.6 mt -123.67 113.29 36.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.455 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.661 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 3.7 m-20 -79.85 102.18 8.97 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -18.89 60.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -173.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 26.8 4.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.787 0.327 . . . . 0.0 111.644 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -162.9 -34.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.247 0.546 . . . . 0.0 110.607 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 72.3 mtm -127.39 144.26 50.19 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.604 -177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -88.2 162.65 7.08 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.777 2.318 . . . . 0.0 112.591 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.7 tp -84.99 144.44 28.3 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.2 p -133.79 164.39 27.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 120.857 0.361 . . . . 0.0 110.605 -177.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -68.97 -12.74 61.94 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.249 178.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.09 -24.96 67.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.053 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.67 -21.91 61.2 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.059 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.99 -12.63 61.85 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -81.08 -25.92 36.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.176 0.513 . . . . 0.0 110.823 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . . . -89.02 144.46 26.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.259 -174.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -89.66 -33.95 16.45 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.973 174.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.49 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 11.8 m-85 -105.9 105.85 16.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.078 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -108.57 135.11 50.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.869 0.366 . . . . 0.0 110.678 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.85 124.68 41.43 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.895 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.8 t -119.53 114.44 44.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.71 0.291 . . . . 0.0 110.723 -177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.661 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 14.5 t70 -90.07 121.69 32.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.71 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.459 ' HB3' ' HE2' ' A' ' 94' ' ' LYS . 47.2 mt-30 62.83 57.3 1.74 Allowed 'General case' 0 C--O 1.232 0.16 0 O-C-N 123.545 0.528 . . . . 0.0 110.839 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 122' ' ' SER . 12.0 p -57.43 -23.52 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.358 -176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.568 ' HB2' HD22 ' A' ' 129' ' ' LEU . 32.7 tt0 -60.0 -24.94 64.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 111.515 178.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.459 ' HE2' ' HB3' ' A' ' 91' ' ' GLN . 1.3 mppt? -89.2 19.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.129 -173.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 mt -80.39 151.4 29.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 173.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -95.94 -128.72 5.73 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.29 -177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -89.19 -71.0 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.936 0.398 . . . . 0.0 111.422 -173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -68.32 -33.89 75.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.862 -174.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.474 ' H ' ' CD ' ' A' ' 99' ' ' GLU . 1.5 mp0 -60.78 -37.96 83.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.499 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.548 ' HG3' HD22 ' A' ' 135' ' ' LEU . 10.0 tt0 -66.85 -43.53 83.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.409 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.59 83.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.196 0.522 . . . . 0.0 110.569 177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.89 -48.41 74.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.393 177.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -55.23 -46.34 75.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -57.26 -42.11 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.712 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.0 m -62.5 -37.92 87.89 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.904 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 72.9 mt -62.73 -47.86 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.961 0.41 . . . . 0.0 110.173 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.76 -48.45 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.232 178.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 28.2 t-20 -61.26 -37.99 85.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.187 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -64.21 -50.52 67.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.288 177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.88 -42.99 69.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.536 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.1 tpt85 -65.37 -25.98 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.713 0.292 . . . . 0.0 110.813 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 0.6 OUTLIER -64.23 -50.39 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.249 0.547 . . . . 0.0 110.328 178.151 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.2 m -79.52 -38.95 33.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.392 -178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 110.39 -7.75 30.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.056 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.9 tttt -102.9 -165.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 102.61 132.26 7.61 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.963 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.1 m-85 -117.52 119.98 36.71 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -128.21 115.86 19.01 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.727 -176.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 49.5 tp -98.2 104.86 16.93 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.2 mt -103.43 123.31 46.62 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.879 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -128.09 147.03 17.14 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.783 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.458 ' HB2' HG12 ' A' ' 92' ' ' VAL . 9.7 t -176.47 161.03 2.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.3 131.02 44.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 125' ' ' THR . 96.6 m-85 66.53 -164.06 0.23 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.493 0.496 . . . . 0.0 111.776 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' A' ' 124' ' ' TYR . 17.1 p -89.56 157.55 46.78 Favored Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.898 -173.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.36 -26.23 63.54 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.932 2.421 . . . . 0.0 112.33 -177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.488 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 35.6 mt-30 -81.79 -4.19 55.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.142 -178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -108.95 -9.97 15.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.849 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' A' ' 93' ' ' GLU . 88.0 mt -75.5 146.82 40.28 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.339 -178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 40.0 t -89.67 90.88 3.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.318 0.58 . . . . 0.0 110.597 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.505 HD12 HD23 ' A' ' 135' ' ' LEU . 14.2 pt -144.72 -173.9 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.948 -1.024 . . . . 0.0 108.301 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.8 mtm180 -57.73 134.25 56.06 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 171.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.42 -32.37 73.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 1.8 t70 -58.52 -50.05 75.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.562 170.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.548 HD22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 tp -63.73 -36.22 83.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.462 . . . . 0.0 110.124 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HD3' ' HA ' ' A' ' 127' ' ' GLN . 41.0 ttm180 -56.54 -46.79 80.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.513 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.497 HG22 ' O ' ' A' ' 134' ' ' ASP . 13.8 t -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.66 -178.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 134' ' ' ASP . 16.0 mmt180 -71.59 -39.22 70.68 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-O 121.275 0.56 . . . . 0.0 109.613 173.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 135' ' ' LEU . 88.2 mmm -62.2 -31.37 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.251 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -75.38 -5.57 45.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.047 -176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.621 ' CD2' ' HA ' ' A' ' 138' ' ' ARG . 36.9 m-85 -78.52 -12.0 59.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 110.636 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 38' ' ' PHE . 34.0 m -90.13 174.35 7.68 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.072 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.3 mt -86.99 162.75 17.47 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.307 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 58.0 t -130.63 116.16 34.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.488 -177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -108.26 144.23 36.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.37 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -105.66 115.02 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.12 -30.35 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -174.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 46.4 mttp 52.14 80.88 0.28 Allowed Pre-proline 0 N--CA 1.467 0.403 0 O-C-N 123.362 0.414 . . . . 0.0 111.812 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo . . . . . 0 C--O 1.249 1.036 0 C-N-CA 122.95 2.434 . . . . 0.0 111.757 176.708 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 127.62 86.01 0.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.219 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -122.41 62.09 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.438 0.637 . . . . 0.0 111.001 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -116.87 110.27 18.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.163 173.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -148.35 103.34 3.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.684 0.754 . . . . 0.0 111.498 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -154.5 127.25 8.12 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.011 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -144.89 128.0 16.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.029 0.442 . . . . 0.0 111.518 -176.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -158.38 83.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.363 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 t -95.12 73.03 3.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.144 0.497 . . . . 0.0 111.254 -172.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -154.44 108.79 3.0 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 174.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -157.32 34.59 0.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -149.49 126.63 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.96 0.41 . . . . 0.0 111.258 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -134.71 109.42 11.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.365 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.16 113.07 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.657 2.238 . . . . 0.0 111.326 177.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 p -109.2 112.03 23.96 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.858 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 65.83 19.11 11.29 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.65 0.594 . . . . 0.0 110.885 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -78.58 139.65 38.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.061 -177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.822 ' HG3' ' HG ' ' A' ' 20' ' ' LEU . 28.5 ttmt 72.59 135.95 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 O-C-N 124.151 0.907 . . . . 0.0 111.571 175.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.681 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 67.3 m-85 -125.43 -56.21 1.52 Allowed 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.822 ' HG ' ' HG3' ' A' ' 18' ' ' LYS . 12.4 mt -103.28 -30.17 10.8 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.767 1.227 . . . . 0.0 110.226 -12.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.66 -74.06 2.27 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.95 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.59 -177.81 4.84 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 123.039 -0.095 . . . . 0.0 111.138 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 74.51 109.99 0.07 Allowed 'General case' 0 N--CA 1.465 0.277 0 O-C-N 124.022 0.826 . . . . 0.0 111.416 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -115.03 18.48 16.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.327 -177.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.84 -35.03 73.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.772 -174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.9 mt-10 -65.5 -37.88 88.08 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.708 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mm? -66.34 -32.42 73.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.56 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.77 -39.31 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.187 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -71.44 -32.49 68.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.551 176.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 55' ' ' ALA . 73.3 t -66.06 -34.55 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.056 177.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 97.4 mt -62.45 104.88 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.879 179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.449 ' HG2' ' H ' ' A' ' 33' ' ' HIS . 66.1 ttt180 -145.63 173.16 12.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 16.2 t-80 -77.53 133.37 38.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.774 0.321 . . . . 0.0 111.297 -177.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -176.33 5.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.141 0.495 . . . . 0.0 112.203 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -134.23 -169.23 2.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.674 178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.08 -166.27 8.42 Favored Glycine 0 CA--C 1.522 0.49 0 O-C-N 123.424 0.453 . . . . 0.0 113.877 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.588 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 19.8 mt-30 -72.05 -72.54 0.23 Allowed 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 120.735 0.302 . . . . 0.0 111.626 -174.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -98.5 101.88 13.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD12 ' HE2' ' A' ' 145' ' ' TYR . 46.6 mm -122.22 129.12 75.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.051 -175.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.498 ' HB2' ' SG ' ' A' ' 142' ' ' CYS . 43.8 t80 -116.01 126.85 54.36 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 176.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 145' ' ' TYR . 6.2 m -125.2 138.6 53.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.277 -176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.9 p-90 -146.09 148.38 32.57 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.355 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.497 ' HA3' ' HB ' ' A' ' 147' ' ' VAL . . . 140.29 177.25 15.76 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 149' ' ' PRO . 52.2 mp0 -72.81 100.36 2.86 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.537 0.335 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 46.68 -156.28 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.416 1.086 . . . . 0.0 112.379 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.65 -92.19 0.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.2 -26.99 14.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.733 0.301 . . . . 0.0 110.428 176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -84.3 21.01 11.11 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 121.071 -0.585 . . . . 0.0 113.605 -172.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -144.58 -176.7 5.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.35 18.96 0.06 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -172.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -73.44 -57.32 4.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 111.267 -178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.48 -26.03 63.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 110.741 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 88' ' ' ALA . 6.7 tp -54.69 -52.44 62.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.466 -175.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -74.03 -40.67 62.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.633 ' HA ' HG13 ' A' ' 30' ' ' VAL . . . -56.98 -45.68 82.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.283 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.566 ' CH2' ' HB3' ' A' ' 86' ' ' TYR . 52.1 t90 -64.04 -41.17 97.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.122 -177.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 69' ' ' TYR . 54.5 t -67.93 -46.53 81.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.759 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.0 82.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.585 0.231 . . . . 0.0 111.289 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.1 tm0? -61.2 -48.43 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 86' ' ' TYR . . . -66.11 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.535 -178.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 67.1 mt -63.0 -42.77 99.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.21 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.04 -6.95 54.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.173 0.511 . . . . 0.0 111.019 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.13 0.86 50.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.128 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.5 16.04 78.63 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.168 178.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -107.68 168.79 9.01 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.486 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 44.4 t30 -101.34 133.25 46.23 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.261 -0.576 . . . . 0.0 110.94 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.93 160.81 42.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.12 -177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -160.24 131.76 5.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.624 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.594 ' HB3' HG21 ' A' ' 57' ' ' VAL . 14.4 p90 -104.9 125.06 50.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.427 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 69.8 mt -124.16 118.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.623 -177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.875 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 4.5 p-10 -95.04 114.26 26.05 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.383 176.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 75' ' ' MET . . . -60.27 -18.33 48.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.999 -175.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.89 72.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.2 t -127.89 -11.59 5.4 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.942 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.513 ' O ' ' HA ' ' A' ' 72' ' ' ALA . 66.3 mtm -139.32 143.49 36.35 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.784 0.326 . . . . 0.0 111.579 -176.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 86.9 Cg_endo -97.28 169.83 0.83 Allowed 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.301 2.667 . . . . 0.0 112.371 174.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 53.5 tp -94.77 144.04 25.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.2 p -139.51 168.63 19.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.99 -24.26 62.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.229 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.55 -25.77 68.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.14 0.495 . . . . 0.0 110.483 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 -9.03 57.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.646 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' HZ ' ' HD2' ' A' ' 109' ' ' ARG . 4.6 t80 -70.11 -16.97 63.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.253 0.549 . . . . 0.0 109.96 -179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.38 -23.0 64.62 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.24 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.486 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -75.04 139.32 42.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.993 -178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -86.02 -33.18 21.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.236 177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.582 ' HD1' ' HB2' ' A' ' 117' ' ' PHE . 10.3 m-85 -112.02 108.84 18.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.336 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' HB2' HD22 ' A' ' 118' ' ' LEU . 3.7 mm? -103.14 131.12 50.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.046 0.45 . . . . 0.0 110.884 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.581 ' HB1' ' HG ' ' A' ' 53' ' ' LEU . . . -119.53 116.22 25.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.536 175.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -115.47 122.7 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.0 111.504 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.875 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 22.4 t70 -98.42 126.75 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.187 177.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.743 ' HB3' ' HG2' ' A' ' 94' ' ' LYS . 46.4 mt-30 58.73 52.72 6.46 Favored 'General case' 0 C--N 1.333 -0.141 0 O-C-N 123.572 0.545 . . . . 0.0 111.77 176.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.9 p -58.35 -22.06 19.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.641 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.575 ' HG3' HD22 ' A' ' 129' ' ' LEU . 2.9 tm-20 -65.96 -25.72 67.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.397 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.743 ' HG2' ' HB3' ' A' ' 91' ' ' GLN . 23.9 mmmt -83.74 -2.15 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.59 0.233 . . . . 0.0 111.464 -172.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.571 ' HB3' ' HB2' ' A' ' 99' ' ' GLU . 95.9 mt -71.84 148.01 46.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.925 0.393 . . . . 0.0 111.143 -177.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -101.07 70.11 0.42 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.918 -0.658 . . . . 0.0 113.255 -175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 t30 69.41 -63.92 0.36 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.207 0.603 . . . . 0.0 112.481 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.5 -50.58 72.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.617 0.246 . . . . 0.0 111.497 -171.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HB2' ' HB3' ' A' ' 95' ' ' LEU . 1.8 mp0 -59.89 -42.9 94.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.379 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -75.45 -25.8 57.75 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.047 -177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.27 -38.23 78.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.287 0.565 . . . . 0.0 109.635 173.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -63.77 -46.98 82.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.182 174.79 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -54.67 -44.78 73.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.333 176.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.447 ' HB2' HD13 ' A' ' 135' ' ' LEU . 77.8 t80 -52.14 -46.29 65.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 177.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.8 t -62.92 -44.98 94.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 63.2 mt -58.86 -51.32 73.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.16 0.505 . . . . 0.0 110.445 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -62.97 -42.32 99.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.587 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -63.45 -50.07 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.123 -178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.407 ' HD2' ' HZ ' ' A' ' 82' ' ' PHE . 97.9 mtt180 -66.41 -36.06 81.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.723 -176.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -61.61 -50.55 72.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.764 0.316 . . . . 0.0 111.08 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -28.11 67.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 0.0 110.651 -178.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -75.13 -41.77 57.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.955 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 49.8 m -67.16 -43.11 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.541 178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 123.68 -34.67 3.53 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.684 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -114.38 173.23 6.56 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 119.79 138.59 5.72 Favored Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.588 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 3.8 m-85 -120.99 140.0 52.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.758 0.313 . . . . 0.0 110.528 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.439 HD22 ' HB2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -139.24 117.27 11.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.875 -179.497 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.4 tp -106.79 110.12 22.21 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.603 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -102.96 114.13 28.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.992 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -104.26 112.91 4.26 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.865 177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 70.0 m -152.69 132.86 13.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -68.96 -27.98 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -168.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.447 ' CE2' HD23 ' A' ' 129' ' ' LEU . 10.0 p90 -122.76 171.23 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.917 176.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.43 ' HB ' ' OE1' ' A' ' 127' ' ' GLN . 8.7 p -73.07 154.23 90.68 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -169.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.515 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 20.7 Cg_exo -66.02 -24.36 52.76 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.236 2.624 . . . . 0.0 112.505 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.43 ' OE1' ' HB ' ' A' ' 125' ' ' THR . 23.7 mp0 -67.05 -24.55 66.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.626 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -99.72 5.13 45.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.575 HD22 ' HG3' ' A' ' 93' ' ' GLU . 85.9 mt -85.45 133.69 34.09 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.53 70.81 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.628 0.728 . . . . 0.0 109.733 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 pt -119.42 177.2 2.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.36 -179.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -54.94 138.81 42.51 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.566 0.541 . . . . 0.0 110.403 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 133' ' ' GLU . 0.0 OUTLIER -70.46 -33.51 71.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.83 0.348 . . . . 0.0 110.527 -177.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.8 -28.36 67.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.467 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' A' ' 104' ' ' PHE . 58.7 tp -81.28 -37.19 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.982 176.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -61.91 -38.62 89.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.334 -177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.6 p -64.57 -37.16 86.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.859 0.362 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 141' ' ' TYR . 28.5 mmt180 -69.69 -19.56 63.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.267 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 24.8 mmt -70.42 -19.6 62.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.52 9.81 14.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.787 -177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 138' ' ' ARG . 36.3 m-85 -94.42 11.56 30.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.654 0.264 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 40' ' ' TYR . 28.6 p -116.68 -173.62 2.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.885 0.374 . . . . 0.0 110.528 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.6 mp -109.1 153.69 23.34 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 91.9 t -118.04 116.03 50.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.09 0.471 . . . . 0.0 110.756 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.478 ' HB2' HG12 ' A' ' 41' ' ' VAL . 89.4 m-85 -107.89 130.24 55.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.523 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -99.89 153.12 19.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.416 -177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.497 ' HB ' ' HA3' ' A' ' 43' ' ' GLY . 56.4 t -106.2 -82.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.921 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 149' ' ' PRO . 35.4 ttpt 68.09 124.95 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.495 0 C-N-CA 123.368 0.667 . . . . 0.0 111.424 -176.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 148' ' ' LYS . 2.1 Cg_endo . . . . . 0 C--O 1.243 0.739 0 C-N-CA 123.156 2.571 . . . . 0.0 111.489 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.25 76.76 1.04 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.394 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -118.62 75.74 1.04 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.017 0.436 . . . . 0.0 110.933 -173.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -135.63 -161.05 1.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.731 176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.7 m80 69.32 23.46 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.692 0.62 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -105.55 101.66 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -177.61 114.97 0.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.98 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -147.88 115.85 6.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.927 0.394 . . . . 0.0 110.548 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 p -170.87 129.77 0.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.709 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -139.06 116.59 11.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.2 mtp -114.35 91.2 3.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.133 0.492 . . . . 0.0 110.248 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -108.41 135.16 50.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.468 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 p90 -116.45 133.53 22.97 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.79 0.328 . . . . 0.0 111.365 -174.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 13' ' ' TYR . 6.1 Cg_exo -74.32 162.24 38.83 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.891 2.394 . . . . 0.0 111.353 174.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.9 p -153.52 105.21 2.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.314 0.578 . . . . 0.0 111.471 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HE2' ' HE3' ' A' ' 18' ' ' LYS . 81.3 t80 -153.95 133.57 12.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.34 -0.845 . . . . 0.0 108.941 178.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -140.14 143.03 35.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.257 0.551 . . . . 0.0 111.93 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HE3' ' HE2' ' A' ' 16' ' ' PHE . 22.3 pttp -173.57 -176.53 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.473 172.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 43.3 t80 -145.44 -50.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 19' ' ' PHE . 1.5 pp -114.1 6.27 16.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.061 0.945 . . . . 0.0 110.284 -10.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.81 -127.25 4.0 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.4 m 75.37 -31.07 0.2 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 122.95 0.5 . . . . 0.0 112.338 175.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.41 28.09 1.16 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.206 0.527 . . . . 0.0 110.907 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -83.78 24.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.418 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.38 -38.29 73.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.096 -175.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.9 mt-10 -63.97 -31.72 73.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.062 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.81 -38.14 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.157 179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' O ' ' HG ' ' A' ' 31' ' ' LEU . 40.2 t -66.83 -32.33 57.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.233 177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -65.95 -36.07 82.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.731 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 26' ' ' GLU . 92.6 t -76.23 -43.66 37.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.319 -176.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.688 ' HA ' ' HB1' ' A' ' 55' ' ' ALA . 4.6 pp -56.38 145.45 27.26 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.279 0.562 . . . . 0.0 111.964 -172.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -144.46 42.35 1.37 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.756 -170.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 m80 68.55 -175.05 0.19 Allowed 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.206 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -103.1 -175.29 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.991 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -143.6 -170.31 3.27 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -77.75 -161.78 16.7 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.332 -0.461 . . . . 0.0 112.699 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.487 ' HA ' ' CD2' ' A' ' 117' ' ' PHE . 40.8 mt-30 -78.52 -76.22 0.2 Allowed 'General case' 0 C--O 1.223 -0.335 0 CA-C-O 120.694 0.283 . . . . 0.0 111.11 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -103.5 97.71 7.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.023 -176.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.2 mm -118.56 123.65 71.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.013 0.435 . . . . 0.0 111.049 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -110.6 109.13 19.3 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 173.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.82 ' HB ' ' HB ' ' A' ' 147' ' ' VAL . 14.2 m -89.4 122.04 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.007 0.432 . . . . 0.0 110.243 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HB2' ' O ' ' A' ' 124' ' ' TYR . 7.4 p-90 -120.53 157.97 28.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.491 -172.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.5 80.36 1.52 Allowed Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.903 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -57.31 135.33 56.48 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.166 0.508 . . . . 0.0 110.143 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.782 ' HB3' ' HE3' ' A' ' 49' ' ' LYS . 6.5 tm-20 -109.2 -40.77 4.85 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.971 -174.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -179.18 70.71 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.244 -174.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.65 84.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.61 118.79 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.042 -0.599 . . . . 0.0 113.747 168.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.782 ' HE3' ' HB3' ' A' ' 45' ' ' GLU . 75.3 mmtt -128.91 16.82 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.374 0.607 . . . . 0.0 109.708 176.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 53' ' ' LEU . 10.6 m -68.97 -5.53 22.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.876 -171.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -56.89 -33.09 66.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.643 0.259 . . . . 0.0 110.988 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.58 -25.91 61.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.08 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 50' ' ' SER . 7.1 mp -70.47 -44.03 68.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 174.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.85 -45.92 92.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.131 177.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.688 ' HB1' ' HA ' ' A' ' 31' ' ' LEU . . . -62.66 -43.23 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.694 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -60.89 -41.39 95.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.644 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 70.5 t -64.4 -49.14 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.234 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.7 82.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.413 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -63.06 -43.65 98.04 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.94 68.47 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 57' ' ' VAL . 79.5 mt -61.9 -47.83 83.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -67.6 -21.53 65.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.936 0.398 . . . . 0.0 111.201 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.22 -14.83 60.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.71 20.69 33.48 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.085 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -102.54 -174.46 2.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' HA ' ' A' ' 84' ' ' ALA . 51.8 t30 -109.47 133.07 53.52 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 174.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 86' ' ' TYR . . . -153.1 141.62 20.81 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.442 -175.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.73 142.11 28.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.363 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.459 ' HB3' HG21 ' A' ' 57' ' ' VAL . 22.5 p90 -111.35 136.02 51.07 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.718 175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.505 ' HA ' ' HE3' ' A' ' 75' ' ' MET . 71.1 mt -132.99 128.13 56.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.411 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.439 ' HB2' ' NE2' ' A' ' 91' ' ' GLN . 3.5 p-10 -121.23 126.71 50.27 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 176.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.03 12.81 0.79 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.672 -174.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 91' ' ' GLN . . . -114.36 20.17 15.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.241 0.543 . . . . 0.0 110.582 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.2 t -167.09 -33.12 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.935 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.505 ' HE3' ' HA ' ' A' ' 70' ' ' ILE . 76.2 mtm -128.27 144.58 52.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.143 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -84.83 170.1 10.16 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.98 2.453 . . . . 0.0 111.239 172.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD23 ' HB3' ' A' ' 102' ' ' LEU . 38.3 tp -86.64 144.66 27.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.7 p -125.28 163.13 23.2 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.075 0.464 . . . . 0.0 111.16 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.22 -12.92 59.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.505 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.83 -24.86 66.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.797 174.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -59.48 -20.94 59.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.163 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.432 ' HZ ' ' HB3' ' A' ' 105' ' ' SER . 66.8 m-85 -74.6 -18.38 60.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.966 0.412 . . . . 0.0 110.973 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -89.59 -24.21 21.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.238 0.542 . . . . 0.0 110.766 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.45 113.87 22.74 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.539 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.65 -42.72 98.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.448 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 42.8 m-85 -101.8 107.14 18.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.963 179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD22 ' HB1' ' A' ' 81' ' ' ALA . 35.9 tp -116.26 130.51 56.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.351 0.596 . . . . 0.0 110.972 -178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.7 117.44 28.92 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.137 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.33 118.22 56.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.937 0.399 . . . . 0.0 110.613 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -114.17 175.53 5.43 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 177.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.606 ' HG2' ' HB2' ' A' ' 73' ' ' ALA . 1.0 OUTLIER 62.22 37.25 14.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.121 0.486 . . . . 0.0 111.02 -175.248 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.0 t -62.35 157.94 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.289 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 75.83 -14.49 0.78 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.456 0.702 . . . . 0.0 111.201 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -91.93 4.88 51.98 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 122.102 -0.374 . . . . 0.0 111.433 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.1 mt -74.62 150.74 39.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.497 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -85.63 -79.04 1.17 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.103 -0.57 . . . . 0.0 113.167 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -148.86 -66.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.326 -174.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -59.21 -35.93 74.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.938 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.624 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -73.86 -32.28 63.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.733 0.301 . . . . 0.0 110.666 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.14 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.479 . . . . 0.0 110.104 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' HB3' HD23 ' A' ' 77' ' ' LEU . 1.1 tm? -66.27 -45.68 79.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.179 176.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.66 -44.71 73.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.59 176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -56.5 -46.74 80.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.008 174.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.432 ' HB3' ' HZ ' ' A' ' 82' ' ' PHE . 8.4 t -59.53 -36.41 76.06 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.422 178.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.51 -49.0 86.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HE1' ' SG ' ' A' ' 142' ' ' CYS . 10.6 m-85 -61.03 -32.11 71.73 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.054 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.671 ' O ' ' HB2' ' A' ' 112' ' ' ASN . 44.1 t30 -62.21 -59.32 5.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.696 175.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.0 -48.91 67.16 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.339 0.399 . . . . 0.0 111.31 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -63.21 -55.16 27.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.699 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -79.14 -18.26 53.51 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.671 ' HB2' ' O ' ' A' ' 108' ' ' ASN . 3.1 t-20 -63.82 -47.37 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 0.0 110.081 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.1 m -97.4 -4.54 38.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 65.49 37.85 94.17 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.415 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -132.57 174.82 9.88 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.26 162.36 36.73 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.661 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.487 ' CD2' ' HA ' ' A' ' 37' ' ' GLN . 80.3 m-85 -132.07 132.92 43.77 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 24.1 tp -135.3 136.39 41.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.456 0.646 . . . . 0.0 110.727 -175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 53' ' ' LEU . 40.6 tp -128.65 118.98 23.84 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.551 -179.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 81.6 mt -121.52 149.08 43.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -140.16 -156.25 6.83 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.554 176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 43.6 m 72.68 152.61 0.13 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.246 0.618 . . . . 0.0 112.137 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 61.08 -163.71 0.25 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.062 174.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.611 ' O ' ' HB2' ' A' ' 42' ' ' TRP . 89.3 m-85 -98.57 -84.03 0.4 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.712 -178.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 7.0 p -134.69 153.27 78.8 Favored Pre-proline 0 C--N 1.322 -0.627 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.35 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.441 ' HA ' ' HG ' ' A' ' 129' ' ' LEU . 31.3 Cg_exo -61.84 -16.69 50.81 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.166 2.577 . . . . 0.0 111.974 177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.91 -18.91 64.93 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.144 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -129.12 12.9 6.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.871 0.367 . . . . 0.0 111.248 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' HA ' ' A' ' 126' ' ' PRO . 62.2 mt -77.29 159.29 29.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.424 176.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.9 t -87.04 66.83 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.792 0.806 . . . . 0.0 110.072 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 136' ' ' ARG . 14.4 pt -122.8 160.38 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.642 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -90.42 164.67 14.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.41 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -57.33 -46.52 83.18 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -168.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.12 -30.89 71.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.155 0.503 . . . . 0.0 111.029 -174.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.424 ' O ' HD23 ' A' ' 135' ' ' LEU . 5.8 tt -82.47 -36.98 26.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.317 0.58 . . . . 0.0 109.574 175.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.459 ' HA ' HD12 ' A' ' 131' ' ' ILE . 16.7 ttt180 -59.66 -38.91 82.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.793 -178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.7 p -67.52 -36.4 80.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.337 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.01 -36.75 80.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.862 0.363 . . . . 0.0 110.562 175.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' MET . . . . . . . . . . . . . 22.0 mmt -65.9 -25.07 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.203 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -73.82 -12.69 60.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -88.85 5.39 44.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.402 ' SG ' ' HE1' ' A' ' 107' ' ' PHE . 79.9 m -106.67 142.35 36.46 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.631 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.29 154.37 35.17 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.221 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 45.8 t -114.44 116.51 52.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.814 -177.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 41' ' ' VAL . 43.6 m-85 -132.41 144.49 50.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.343 0.592 . . . . 0.0 111.633 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -75.33 129.68 37.79 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.282 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' VAL . . . . . 0.82 ' HB ' ' HB ' ' A' ' 41' ' ' VAL . 6.5 p -98.69 86.5 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 122.097 0.951 . . . . 0.0 110.262 174.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -127.43 148.97 68.66 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.51 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.414 ' CD ' ' HG3' ' A' ' 45' ' ' GLU . 54.3 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.767 2.312 . . . . 0.0 111.882 175.985 . . . . . . . . 1 1 . 1 stop_ save_